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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antineoplastics; anthraquinone derivatives | 1821 | 65271-80-9 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 2.59 mg/mL | Bocci G, Oprea TI, Benet LZ |
| EoM (Fraction excreted unchanged in urine) | 7 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.78 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 0 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 12 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 7.90 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.25 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 53 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | AAK1,ACVR1B,ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BLK,BMX,BRAF,BTK,CAMK2A,CAMK2B,CAMK2D,CAMK2G,CDK1,CDK14,CDK16,CDK19,CDK2,CDK3,CDK4,CDK5,CDK6,CDK7,CDK9,CHEK1,CLK2,CLK4,CSF1R,DDR1,DYRK1B,DYRK2,DYRK3,EGFR,EIF2AK3,EPHA2,EPHB1,EPHB4,ERBB2,ERBB4,FGFR1,FLT1,FLT3,FLT4,FYN,GAK,GRK1,GRK2,GSK3A,GSK3B,HASPIN,HIPK2,IGF1R,IKBKB,INSR,IRAK1,IRAK3,ITK,JAK1,JAK2,JAK3,KDR,KIT,LCK,LYN,MAP2K1,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP3K9,MAP4K1,MAP4K2,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK1,MARK2,MARK4,MELK,MET,MINK1,MKNK2,MST1R,MTOR,NTRK1,NTRK2,NUAK1,PAK2,PAK4,PDGFRB,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PLK1,PLK2,PLK3,PLK4,PRKAA1,PRKAA2,PRKCD,PRKCZ,PRKD1,PRKDC,PTK2,SGK1,SIK2,SIK3,SRC,STK10,STK17A,STK33,STK4,SYK,TEK,TGFBR1,TNIK,TTK,TYRO3,UHMK1,ULK1,ULK2,YES1,ZAP70 | 150 | |||
| kinase-selectivity-class | AAK1,ACVR2B,ALK,AURKB,AXL,BRAF,CAMK2A,CAMK2B,CAMK2D,CDK16,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,FLT4,GRK2,GSK3A,INSR,IRAK1,JAK2,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK12,MAPK7,MARK4,MELK,PIM3,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,TYRO3,ULK1,ULK2 | 48 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 8.337 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| rat-kpuu-brain | Rat brain Kpuu | 0.030 | % | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 23, 1987 | FDA |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Febrile neutropenia | 450.88 | 28.07 | 234 | 7469 | 158115 | 90462629 |
| Acute myeloid leukaemia | 274.58 | 28.07 | 92 | 7611 | 20548 | 90600196 |
| Myelodysplastic syndrome | 215.36 | 28.07 | 77 | 7626 | 20826 | 90599918 |
| Pancytopenia | 171.86 | 28.07 | 114 | 7589 | 120149 | 90500595 |
| Sepsis | 168.77 | 28.07 | 132 | 7571 | 179682 | 90441062 |
| Second primary malignancy | 161.04 | 28.07 | 52 | 7651 | 10326 | 90610418 |
| Neutropenia | 133.37 | 28.07 | 127 | 7576 | 224777 | 90395967 |
| Thrombocytopenia | 129.75 | 28.07 | 121 | 7582 | 208604 | 90412140 |
| Acute promyelocytic leukaemia | 114.20 | 28.07 | 25 | 7678 | 1104 | 90619640 |
| Haematotoxicity | 109.83 | 28.07 | 41 | 7662 | 12494 | 90608250 |
| Haemophagocytic lymphohistiocytosis | 101.48 | 28.07 | 41 | 7662 | 15418 | 90605326 |
| Leukaemia recurrent | 91.96 | 28.07 | 22 | 7681 | 1445 | 90619299 |
| Bronchopulmonary aspergillosis | 84.47 | 28.07 | 33 | 7670 | 11365 | 90609379 |
| Acute myeloid leukaemia recurrent | 79.76 | 28.07 | 21 | 7682 | 2036 | 90618708 |
| Bone marrow failure | 78.26 | 28.07 | 43 | 7660 | 32178 | 90588566 |
| Myelosuppression | 72.09 | 28.07 | 49 | 7654 | 53542 | 90567202 |
| Bacterial sepsis | 69.46 | 28.07 | 23 | 7680 | 4932 | 90615812 |
| Progressive multifocal leukoencephalopathy | 67.99 | 28.07 | 31 | 7672 | 15624 | 90605120 |
| Graft versus host disease | 65.40 | 28.07 | 25 | 7678 | 8119 | 90612625 |
| Venoocclusive liver disease | 65.17 | 28.07 | 23 | 7680 | 5970 | 90614774 |
| Congestive cardiomyopathy | 64.21 | 28.07 | 24 | 7679 | 7330 | 90613414 |
| Graft versus host disease in gastrointestinal tract | 64.05 | 28.07 | 21 | 7682 | 4367 | 90616377 |
| Disease progression | 63.08 | 28.07 | 72 | 7631 | 156543 | 90464201 |
| Febrile bone marrow aplasia | 61.07 | 28.07 | 25 | 7678 | 9713 | 90611031 |
| Chronic hepatitis | 60.68 | 28.07 | 15 | 7688 | 1130 | 90619614 |
| Aspergillus infection | 58.52 | 28.07 | 25 | 7678 | 10798 | 90609946 |
| Fungaemia | 52.82 | 28.07 | 17 | 7686 | 3333 | 90617411 |
| Strongyloidiasis | 51.01 | 28.07 | 14 | 7689 | 1588 | 90619156 |
| Lower respiratory tract infection fungal | 50.65 | 28.07 | 10 | 7693 | 264 | 90620480 |
| Mucormycosis | 50.63 | 28.07 | 17 | 7686 | 3804 | 90616940 |
| Paraspinal abscess | 50.62 | 28.07 | 10 | 7693 | 265 | 90620479 |
| Hypogammaglobulinaemia | 49.08 | 28.07 | 22 | 7681 | 10652 | 90610092 |
| Systemic inflammatory response syndrome | 48.75 | 28.07 | 19 | 7684 | 6497 | 90614247 |
| Cardiac failure | 48.63 | 28.07 | 53 | 7650 | 109443 | 90511301 |
| Metastases to bone marrow | 47.83 | 28.07 | 11 | 7692 | 608 | 90620136 |
| Acute lymphocytic leukaemia recurrent | 47.83 | 28.07 | 15 | 7688 | 2706 | 90618038 |
| Respiratory failure | 46.91 | 28.07 | 54 | 7649 | 118364 | 90502380 |
| Streptococcal bacteraemia | 46.45 | 28.07 | 14 | 7689 | 2213 | 90618531 |
| Drug resistance | 46.15 | 28.07 | 30 | 7673 | 30419 | 90590325 |
| Chloroma | 45.11 | 28.07 | 9 | 7694 | 251 | 90620493 |
| Septic shock | 45.01 | 28.07 | 45 | 7658 | 84115 | 90536629 |
| Stenotrophomonas infection | 44.70 | 28.07 | 14 | 7689 | 2515 | 90618229 |
| Bone marrow infiltration | 44.47 | 28.07 | 11 | 7692 | 831 | 90619913 |
| Cardiomyopathy | 43.70 | 28.07 | 25 | 7678 | 20181 | 90600563 |
| Arthralgia | 43.68 | 28.07 | 7 | 7696 | 778515 | 89842229 |
| Leukopenia | 41.70 | 28.07 | 47 | 7656 | 100663 | 90520081 |
| Multiple organ dysfunction syndrome | 41.15 | 28.07 | 39 | 7664 | 68297 | 90552447 |
| Escherichia infection | 40.76 | 28.07 | 22 | 7681 | 15873 | 90604871 |
| Pain | 40.69 | 28.07 | 17 | 7686 | 996324 | 89624420 |
| Klebsiella sepsis | 40.64 | 28.07 | 12 | 7691 | 1769 | 90618975 |
| Abdominal wall wound | 39.73 | 28.07 | 7 | 7696 | 97 | 90620647 |
| Product use in unapproved indication | 38.65 | 28.07 | 87 | 7616 | 336149 | 90284595 |
| Off label use | 38.64 | 28.07 | 190 | 7513 | 1102062 | 89518682 |
| Haemorrhagic adrenal infarction | 38.43 | 28.07 | 6 | 7697 | 37 | 90620707 |
| Myeloblast percentage decreased | 37.89 | 28.07 | 6 | 7697 | 41 | 90620703 |
| Refractory cytopenia with multilineage dysplasia | 37.66 | 28.07 | 7 | 7696 | 133 | 90620611 |
| Acute graft versus host disease | 37.59 | 28.07 | 15 | 7688 | 5453 | 90615291 |
| Hepatosplenic candidiasis | 37.21 | 28.07 | 8 | 7695 | 324 | 90620420 |
| Dysbiosis | 36.80 | 28.07 | 11 | 7692 | 1691 | 90619053 |
| Malignant neoplasm progression | 36.18 | 28.07 | 45 | 7658 | 106825 | 90513919 |
| Pyrexia | 35.66 | 28.07 | 130 | 7573 | 660355 | 89960389 |
| Hepatitis E | 35.61 | 28.07 | 11 | 7692 | 1888 | 90618856 |
| Abscess | 34.62 | 28.07 | 21 | 7682 | 18870 | 90601874 |
| Pneumonia klebsiella | 34.20 | 28.07 | 12 | 7691 | 3060 | 90617684 |
| Neoplasm progression | 33.90 | 28.07 | 29 | 7674 | 44457 | 90576287 |
| Aplastic anaemia | 33.01 | 28.07 | 18 | 7685 | 13251 | 90607493 |
| Chronic myeloid leukaemia | 31.95 | 28.07 | 11 | 7692 | 2653 | 90618091 |
| Mucosal inflammation | 31.14 | 28.07 | 31 | 7672 | 57594 | 90563150 |
| Granulicatella infection | 30.70 | 28.07 | 6 | 7697 | 150 | 90620594 |
| Stem cell transplant | 30.19 | 28.07 | 10 | 7693 | 2144 | 90618600 |
| Cardiotoxicity | 29.86 | 28.07 | 16 | 7687 | 11373 | 90609371 |
| Abdominal discomfort | 29.85 | 28.07 | 3 | 7700 | 477325 | 90143419 |
| Cerebral haemorrhage | 29.40 | 28.07 | 24 | 7679 | 34498 | 90586246 |
| Myelofibrosis | 29.06 | 28.07 | 9 | 7694 | 1558 | 90619186 |
| Pulmonary haemorrhage | 29.02 | 28.07 | 14 | 7689 | 7999 | 90612745 |
| Hepatic failure | 28.46 | 28.07 | 25 | 7678 | 39703 | 90581041 |
| Ejection fraction decreased | 28.33 | 28.07 | 21 | 7682 | 26232 | 90594512 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Febrile neutropenia | 406.04 | 22.98 | 322 | 8483 | 185381 | 42427149 |
| Myelodysplastic syndrome | 192.78 | 22.98 | 94 | 8711 | 22651 | 42589879 |
| Acute myeloid leukaemia | 176.75 | 22.98 | 88 | 8717 | 22168 | 42590362 |
| Septic shock | 110.09 | 22.98 | 114 | 8691 | 91558 | 42520972 |
| Neutropenia | 107.42 | 22.98 | 166 | 8639 | 199265 | 42413265 |
| Bone marrow failure | 99.90 | 22.98 | 70 | 8735 | 33023 | 42579507 |
| Mucormycosis | 96.87 | 22.98 | 41 | 8764 | 7102 | 42605428 |
| Second primary malignancy | 94.57 | 22.98 | 44 | 8761 | 9531 | 42602999 |
| Bronchopulmonary aspergillosis | 85.34 | 22.98 | 52 | 8753 | 19377 | 42593153 |
| Disease progression | 77.80 | 22.98 | 120 | 8685 | 143536 | 42468994 |
| Fungal infection | 74.58 | 22.98 | 48 | 8757 | 19674 | 42592856 |
| Myelosuppression | 72.78 | 22.98 | 63 | 8742 | 40398 | 42572132 |
| Venoocclusive liver disease | 70.86 | 22.98 | 37 | 8768 | 10265 | 42602265 |
| Acute lymphocytic leukaemia recurrent | 63.05 | 22.98 | 25 | 8780 | 3666 | 42608864 |
| Thrombocytopenia | 62.87 | 22.98 | 128 | 8677 | 190151 | 42422379 |
| Neutropenic colitis | 61.74 | 22.98 | 26 | 8779 | 4444 | 42608086 |
| Ameloblastoma | 56.74 | 22.98 | 11 | 8794 | 102 | 42612428 |
| Bacteraemia | 55.45 | 22.98 | 44 | 8761 | 24996 | 42587534 |
| Neoplasm progression | 49.81 | 22.98 | 44 | 8761 | 28956 | 42583574 |
| Aspiration bone marrow abnormal | 48.86 | 22.98 | 10 | 8795 | 125 | 42612405 |
| Multiple organ dysfunction syndrome | 48.21 | 22.98 | 78 | 8727 | 96957 | 42515573 |
| Minimal residual disease | 47.18 | 22.98 | 13 | 8792 | 608 | 42611922 |
| Cystitis haemorrhagic | 46.65 | 22.98 | 25 | 8780 | 7304 | 42605226 |
| Mucosal inflammation | 46.31 | 22.98 | 54 | 8751 | 49320 | 42563210 |
| Pancytopenia | 45.89 | 22.98 | 85 | 8720 | 117658 | 42494872 |
| Pneumonia fungal | 44.09 | 22.98 | 26 | 8779 | 9120 | 42603410 |
| Leukaemia recurrent | 43.93 | 22.98 | 16 | 8789 | 1860 | 42610670 |
| Lymphoma | 42.50 | 22.98 | 30 | 8775 | 14291 | 42598239 |
| Hypertensive hydrocephalus | 42.32 | 22.98 | 8 | 8797 | 64 | 42612466 |
| Drug resistance | 41.75 | 22.98 | 43 | 8762 | 34205 | 42578325 |
| Cardiotoxicity | 40.78 | 22.98 | 23 | 8782 | 7422 | 42605108 |
| Enamel anomaly | 37.83 | 22.98 | 9 | 8796 | 232 | 42612298 |
| Haematopoietic neoplasm | 37.73 | 22.98 | 7 | 8798 | 50 | 42612480 |
| Haematotoxicity | 37.28 | 22.98 | 25 | 8780 | 10960 | 42601570 |
| Tooth hypoplasia | 37.15 | 22.98 | 9 | 8796 | 251 | 42612279 |
| Neoplasm recurrence | 34.82 | 22.98 | 15 | 8790 | 2709 | 42609821 |
| Abscess fungal | 34.65 | 22.98 | 9 | 8796 | 335 | 42612195 |
| Klebsiella infection | 34.23 | 22.98 | 24 | 8781 | 11308 | 42601222 |
| Cytogenetic abnormality | 33.71 | 22.98 | 11 | 8794 | 920 | 42611610 |
| Aspergillus infection | 33.29 | 22.98 | 27 | 8778 | 15810 | 42596720 |
| Acute myeloid leukaemia refractory | 31.61 | 22.98 | 7 | 8798 | 130 | 42612400 |
| Acute myeloid leukaemia recurrent | 31.17 | 22.98 | 15 | 8790 | 3497 | 42609033 |
| Gallbladder adenocarcinoma | 30.50 | 22.98 | 5 | 8800 | 15 | 42612515 |
| Sepsis | 30.10 | 22.98 | 100 | 8705 | 199234 | 42413296 |
| Drug ineffective | 29.93 | 22.98 | 227 | 8578 | 629970 | 41982560 |
| Fungaemia | 29.68 | 22.98 | 14 | 8791 | 3122 | 42609408 |
| Refractory anaemia with an excess of blasts | 29.68 | 22.98 | 8 | 8797 | 344 | 42612186 |
| Disseminated mucormycosis | 29.39 | 22.98 | 11 | 8794 | 1380 | 42611150 |
| Clostridium bacteraemia | 27.88 | 22.98 | 7 | 8798 | 227 | 42612303 |
| Acute graft versus host disease in skin | 27.88 | 22.98 | 18 | 8787 | 7406 | 42605124 |
| Dystrophic calcification | 27.29 | 22.98 | 5 | 8800 | 33 | 42612497 |
| Febrile bone marrow aplasia | 27.17 | 22.98 | 20 | 8785 | 10161 | 42602369 |
| Progressive multifocal leukoencephalopathy | 27.10 | 22.98 | 21 | 8784 | 11515 | 42601015 |
| Large granular lymphocytosis | 27.07 | 22.98 | 7 | 8798 | 256 | 42612274 |
| Cytopenia | 26.99 | 22.98 | 25 | 8780 | 17472 | 42595058 |
| Respiratory tract infection fungal | 26.94 | 22.98 | 9 | 8796 | 810 | 42611720 |
| Differentiation syndrome | 26.56 | 22.98 | 11 | 8794 | 1802 | 42610728 |
| Fall | 26.13 | 22.98 | 8 | 8797 | 234512 | 42378018 |
| Chronic graft versus host disease | 26.12 | 22.98 | 16 | 8789 | 6009 | 42606521 |
| Genotoxicity | 26.02 | 22.98 | 5 | 8800 | 44 | 42612486 |
| Klebsiella sepsis | 25.39 | 22.98 | 12 | 8793 | 2689 | 42609841 |
| Pyrexia | 25.24 | 22.98 | 153 | 8652 | 393889 | 42218641 |
| Septal panniculitis | 24.69 | 22.98 | 5 | 8800 | 59 | 42612471 |
| Respiratory failure | 24.65 | 22.98 | 70 | 8735 | 128062 | 42484468 |
| Encephalopathy | 24.38 | 22.98 | 36 | 8769 | 41297 | 42571233 |
| Osteonecrosis | 23.19 | 22.98 | 22 | 8783 | 15843 | 42596687 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Febrile neutropenia | 727.18 | 23.17 | 476 | 14218 | 316291 | 110258314 |
| Acute myeloid leukaemia | 433.32 | 23.17 | 170 | 14524 | 37940 | 110536665 |
| Myelodysplastic syndrome | 400.94 | 23.17 | 160 | 14534 | 37324 | 110537281 |
| Second primary malignancy | 249.77 | 23.17 | 93 | 14601 | 17975 | 110556630 |
| Neutropenia | 214.47 | 23.17 | 256 | 14438 | 374364 | 110200241 |
| Bone marrow failure | 182.80 | 23.17 | 107 | 14587 | 57741 | 110516864 |
| Thrombocytopenia | 173.14 | 23.17 | 222 | 14472 | 348663 | 110225942 |
| Sepsis | 158.78 | 23.17 | 206 | 14488 | 327140 | 110247465 |
| Septic shock | 157.11 | 23.17 | 145 | 14549 | 157383 | 110417222 |
| Pancytopenia | 149.94 | 23.17 | 161 | 14533 | 209452 | 110365153 |
| Venoocclusive liver disease | 145.59 | 23.17 | 60 | 14634 | 15147 | 110559458 |
| Bronchopulmonary aspergillosis | 132.17 | 23.17 | 69 | 14625 | 29794 | 110544811 |
| Disease progression | 129.99 | 23.17 | 161 | 14533 | 243873 | 110330732 |
| Leukaemia recurrent | 125.04 | 23.17 | 36 | 14658 | 3095 | 110571510 |
| Myelosuppression | 124.65 | 23.17 | 102 | 14592 | 94238 | 110480367 |
| Haematotoxicity | 123.71 | 23.17 | 59 | 14635 | 21023 | 110553582 |
| Mucormycosis | 119.22 | 23.17 | 47 | 14647 | 10581 | 110564024 |
| Acute lymphocytic leukaemia recurrent | 107.14 | 23.17 | 37 | 14657 | 5750 | 110568855 |
| Acute promyelocytic leukaemia | 99.49 | 23.17 | 27 | 14667 | 1869 | 110572736 |
| Acute myeloid leukaemia recurrent | 95.69 | 23.17 | 33 | 14661 | 5106 | 110569499 |
| Drug resistance | 91.83 | 23.17 | 69 | 14625 | 56305 | 110518300 |
| Multiple organ dysfunction syndrome | 87.04 | 23.17 | 104 | 14590 | 151606 | 110422999 |
| Bacteraemia | 82.98 | 23.17 | 58 | 14636 | 42332 | 110532273 |
| Fungaemia | 79.25 | 23.17 | 30 | 14664 | 6056 | 110568549 |
| Progressive multifocal leukoencephalopathy | 78.35 | 23.17 | 46 | 14648 | 24910 | 110549695 |
| Haemophagocytic lymphohistiocytosis | 78.19 | 23.17 | 50 | 14644 | 31509 | 110543096 |
| Fungal infection | 77.93 | 23.17 | 60 | 14634 | 50746 | 110523859 |
| Neutropenic colitis | 77.80 | 23.17 | 32 | 14662 | 8033 | 110566572 |
| Aspergillus infection | 77.24 | 23.17 | 46 | 14648 | 25570 | 110549035 |
| Graft versus host disease | 67.97 | 23.17 | 38 | 14656 | 18768 | 110555837 |
| Neoplasm recurrence | 65.28 | 23.17 | 25 | 14669 | 5207 | 110569398 |
| Respiratory failure | 64.29 | 23.17 | 108 | 14586 | 215224 | 110359381 |
| Neoplasm progression | 63.41 | 23.17 | 59 | 14635 | 64536 | 110510069 |
| Klebsiella sepsis | 63.36 | 23.17 | 23 | 14671 | 4130 | 110570475 |
| Ameloblastoma | 61.58 | 23.17 | 11 | 14683 | 102 | 110574503 |
| Systemic inflammatory response syndrome | 60.17 | 23.17 | 31 | 14663 | 13012 | 110561593 |
| Drug ineffective | 60.00 | 23.17 | 375 | 14319 | 1520165 | 109054440 |
| Febrile bone marrow aplasia | 59.63 | 23.17 | 34 | 14660 | 17431 | 110557174 |
| Off label use | 59.20 | 23.17 | 370 | 14324 | 1499815 | 109074790 |
| Product use in unapproved indication | 56.23 | 23.17 | 158 | 14536 | 447219 | 110127386 |
| Clostridium bacteraemia | 55.72 | 23.17 | 13 | 14681 | 485 | 110574120 |
| Cardiotoxicity | 55.33 | 23.17 | 32 | 14662 | 16849 | 110557756 |
| Candida infection | 55.31 | 23.17 | 48 | 14646 | 47961 | 110526644 |
| Arthralgia | 54.34 | 23.17 | 18 | 14676 | 779614 | 109794991 |
| Pain | 53.94 | 23.17 | 30 | 14664 | 954925 | 109619680 |
| Refractory anaemia with an excess of blasts | 53.65 | 23.17 | 14 | 14680 | 833 | 110573772 |
| Lower respiratory tract infection fungal | 53.49 | 23.17 | 14 | 14680 | 843 | 110573762 |
| Cytogenetic abnormality | 53.30 | 23.17 | 15 | 14679 | 1187 | 110573418 |
| Pyrexia | 53.30 | 23.17 | 248 | 14446 | 898017 | 109676588 |
| Graft versus host disease in gastrointestinal tract | 52.30 | 23.17 | 25 | 14669 | 8943 | 110565662 |
| Mucosal inflammation | 52.00 | 23.17 | 64 | 14630 | 96077 | 110478528 |
| Chronic hepatitis | 51.75 | 23.17 | 16 | 14678 | 1756 | 110572849 |
| Pneumonia fungal | 51.12 | 23.17 | 29 | 14665 | 14725 | 110559880 |
| Differentiation syndrome | 50.74 | 23.17 | 18 | 14676 | 3026 | 110571579 |
| Cystitis haemorrhagic | 50.57 | 23.17 | 27 | 14667 | 12182 | 110562423 |
| Aplastic anaemia | 49.30 | 23.17 | 34 | 14660 | 24274 | 110550331 |
| Chloroma | 48.85 | 23.17 | 13 | 14681 | 835 | 110573770 |
| Bacterial sepsis | 48.73 | 23.17 | 25 | 14669 | 10401 | 110564204 |
| Cytopenia | 47.12 | 23.17 | 36 | 14658 | 30080 | 110544525 |
| Pruritus | 46.98 | 23.17 | 10 | 14684 | 581550 | 109993055 |
| Malignant neoplasm progression | 46.14 | 23.17 | 83 | 14611 | 174484 | 110400121 |
| Stenotrophomonas infection | 45.72 | 23.17 | 20 | 14674 | 5838 | 110568767 |
| Fatigue | 45.55 | 23.17 | 57 | 14637 | 1215901 | 109358704 |
| Enterococcal infection | 44.90 | 23.17 | 30 | 14664 | 20336 | 110554269 |
| Cardiomyopathy | 43.71 | 23.17 | 36 | 14658 | 33489 | 110541116 |
| Klebsiella infection | 42.98 | 23.17 | 29 | 14665 | 19980 | 110554625 |
| Hepatic failure | 42.50 | 23.17 | 49 | 14645 | 68690 | 110505915 |
| Paraspinal abscess | 41.80 | 23.17 | 10 | 14684 | 416 | 110574189 |
| Diffuse large B-cell lymphoma recurrent | 41.17 | 23.17 | 19 | 14675 | 6280 | 110568325 |
| Leukopenia | 40.92 | 23.17 | 72 | 14622 | 148719 | 110425886 |
| Nasopharyngitis | 40.90 | 23.17 | 3 | 14691 | 394358 | 110180247 |
| Staphylococcal infection | 40.16 | 23.17 | 48 | 14646 | 69896 | 110504709 |
| Acute myeloid leukaemia refractory | 40.06 | 23.17 | 9 | 14685 | 283 | 110574322 |
| Respiratory tract infection fungal | 38.85 | 23.17 | 12 | 14682 | 1312 | 110573293 |
| Drug hypersensitivity | 38.35 | 23.17 | 7 | 14687 | 454083 | 110120522 |
| Tooth hypoplasia | 38.26 | 23.17 | 9 | 14685 | 348 | 110574257 |
| Hypogammaglobulinaemia | 38.18 | 23.17 | 27 | 14667 | 20049 | 110554556 |
| White blood cell count decreased | 38.05 | 23.17 | 90 | 14604 | 229300 | 110345305 |
| Metastases to bone marrow | 37.57 | 23.17 | 11 | 14683 | 1003 | 110573602 |
| Stomatococcal infection | 37.52 | 23.17 | 9 | 14685 | 379 | 110574226 |
| Stem cell transplant | 37.45 | 23.17 | 16 | 14678 | 4411 | 110570194 |
| Hepatosplenic candidiasis | 37.37 | 23.17 | 10 | 14684 | 656 | 110573949 |
| Haematopoietic neoplasm | 37.17 | 23.17 | 7 | 14687 | 89 | 110574516 |
| Cardiac failure | 37.15 | 23.17 | 79 | 14615 | 187547 | 110387058 |
| Abdominal wall wound | 37.02 | 23.17 | 7 | 14687 | 91 | 110574514 |
| Fall | 36.95 | 23.17 | 17 | 14677 | 603465 | 109971140 |
| Escherichia infection | 36.23 | 23.17 | 28 | 14666 | 23788 | 110550817 |
| Enamel anomaly | 36.10 | 23.17 | 8 | 14686 | 236 | 110574369 |
| Lymphoma | 35.78 | 23.17 | 26 | 14668 | 20145 | 110554460 |
| Refractory cytopenia with multilineage dysplasia | 35.51 | 23.17 | 8 | 14686 | 255 | 110574350 |
| Disseminated intravascular coagulation | 35.38 | 23.17 | 35 | 14659 | 41251 | 110533354 |
| Myeloblast percentage decreased | 35.21 | 23.17 | 6 | 14688 | 41 | 110574564 |
| Bone marrow infiltration | 34.74 | 23.17 | 10 | 14684 | 858 | 110573747 |
| Pain in extremity | 34.33 | 23.17 | 11 | 14683 | 487107 | 110087498 |
| Hyperammonaemic encephalopathy | 34.30 | 23.17 | 16 | 14678 | 5418 | 110569187 |
| Hypertensive hydrocephalus | 34.14 | 23.17 | 5 | 14689 | 10 | 110574595 |
| Chronic graft versus host disease | 33.87 | 23.17 | 19 | 14675 | 9438 | 110565167 |
| Graft versus host disease in skin | 33.47 | 23.17 | 18 | 14676 | 8236 | 110566369 |
| Acute graft versus host disease | 33.37 | 23.17 | 21 | 14673 | 12860 | 110561745 |
| Chronic lymphocytic leukaemia recurrent | 32.87 | 23.17 | 10 | 14684 | 1039 | 110573566 |
| Pseudomonas infection | 32.38 | 23.17 | 28 | 14666 | 27825 | 110546780 |
| Acute graft versus host disease in skin | 31.63 | 23.17 | 19 | 14675 | 10721 | 110563884 |
| Chronic myeloid leukaemia | 31.45 | 23.17 | 14 | 14680 | 4259 | 110570346 |
| Colitis | 31.40 | 23.17 | 52 | 14642 | 102271 | 110472334 |
| Pneumonia klebsiella | 31.27 | 23.17 | 16 | 14678 | 6616 | 110567989 |
| Abscess fungal | 31.13 | 23.17 | 8 | 14686 | 448 | 110574157 |
| Pulmonary haemorrhage | 30.99 | 23.17 | 22 | 14672 | 16434 | 110558171 |
| Acute lymphocytic leukaemia | 30.39 | 23.17 | 15 | 14679 | 5750 | 110568855 |
| Neutrophil count decreased | 30.04 | 23.17 | 56 | 14638 | 120885 | 110453720 |
| Escherichia bacteraemia | 29.98 | 23.17 | 18 | 14676 | 10146 | 110564459 |
| Nausea | 29.91 | 23.17 | 76 | 14618 | 1235614 | 109338991 |
| Disseminated mucormycosis | 29.69 | 23.17 | 11 | 14683 | 2091 | 110572514 |
| Osteonecrosis | 29.65 | 23.17 | 29 | 14665 | 33712 | 110540893 |
| Dysbiosis | 29.54 | 23.17 | 11 | 14683 | 2121 | 110572484 |
| Insomnia | 29.51 | 23.17 | 6 | 14688 | 360584 | 110214021 |
| Strongyloidiasis | 29.38 | 23.17 | 14 | 14680 | 4972 | 110569633 |
| Dizziness | 29.04 | 23.17 | 30 | 14664 | 698163 | 109876442 |
| Fungal sepsis | 29.02 | 23.17 | 11 | 14683 | 2226 | 110572379 |
| Venoocclusive disease | 29.02 | 23.17 | 15 | 14679 | 6335 | 110568270 |
| Encephalopathy | 28.74 | 23.17 | 44 | 14650 | 81011 | 110493594 |
| Weight increased | 28.65 | 23.17 | 10 | 14684 | 419634 | 110154971 |
| Hepatitis B | 28.29 | 23.17 | 17 | 14677 | 9595 | 110565010 |
| Tumour lysis syndrome | 28.05 | 23.17 | 27 | 14667 | 30774 | 110543831 |
| Alopecia | 27.98 | 23.17 | 7 | 14687 | 364746 | 110209859 |
| Cytokine release syndrome | 27.55 | 23.17 | 40 | 14654 | 70266 | 110504339 |
| Platelet count decreased | 27.54 | 23.17 | 80 | 14614 | 230363 | 110344242 |
| Granulicatella infection | 27.45 | 23.17 | 6 | 14688 | 166 | 110574439 |
| Cytomegalovirus infection | 27.44 | 23.17 | 35 | 14659 | 54409 | 110520196 |
| Portal hypertension | 27.31 | 23.17 | 16 | 14678 | 8621 | 110565984 |
| Streptococcal bacteraemia | 27.18 | 23.17 | 13 | 14681 | 4656 | 110569949 |
| Chromosomal deletion | 27.14 | 23.17 | 6 | 14688 | 175 | 110574430 |
| Aspiration bone marrow abnormal | 27.04 | 23.17 | 6 | 14688 | 178 | 110574427 |
| Blood culture positive | 26.74 | 23.17 | 16 | 14678 | 8960 | 110565645 |
| Pseudomonal sepsis | 26.63 | 23.17 | 16 | 14678 | 9030 | 110565575 |
| Acute febrile neutrophilic dermatosis | 26.49 | 23.17 | 13 | 14681 | 4923 | 110569682 |
| Hyperbilirubinaemia | 26.27 | 23.17 | 26 | 14668 | 30645 | 110543960 |
| Lymphopenia | 25.44 | 23.17 | 29 | 14665 | 40141 | 110534464 |
| Large granular lymphocytosis | 25.35 | 23.17 | 7 | 14687 | 517 | 110574088 |
| Ejection fraction decreased | 25.03 | 23.17 | 29 | 14665 | 40851 | 110533754 |
| Acute graft versus host disease in intestine | 24.85 | 23.17 | 13 | 14681 | 5626 | 110568979 |
| Hepatitis E | 24.70 | 23.17 | 12 | 14682 | 4447 | 110570158 |
| Hypertension | 24.69 | 23.17 | 19 | 14675 | 510065 | 110064540 |
| Chromosome analysis abnormal | 24.43 | 23.17 | 6 | 14688 | 279 | 110574326 |
| Hepatic function abnormal | 24.27 | 23.17 | 43 | 14651 | 89252 | 110485353 |
| Dyspnoea | 23.84 | 23.17 | 72 | 14622 | 1106800 | 109467805 |
| Fusarium infection | 23.39 | 23.17 | 10 | 14684 | 2761 | 110571844 |
| Aplasia | 23.37 | 23.17 | 14 | 14680 | 7859 | 110566746 |
| Streptococcal sepsis | 23.23 | 23.17 | 12 | 14682 | 5060 | 110569545 |
None
| Source | Code | Description |
|---|---|---|
| ATC | L01DB07 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES Anthracyclines and related substances |
| FDA MoA | N0000000176 | Topoisomerase Inhibitors |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D059005 | Topoisomerase II Inhibitors |
| FDA EPC | N0000175609 | Topoisomerase Inhibitor |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35705 | immunosuppressive agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Acute myeloid leukemia, disease | indication | 91861009 | |
| Relapsing remitting multiple sclerosis | indication | 426373005 | DOID:2378 |
| Metastatic Prostate Carcinoma | indication | ||
| Follicular non-Hodgkin's lymphoma | off-label use | 308121000 | |
| Metastatic Breast Carcinoma | off-label use | ||
| Progressive Diffuse Large B-Cell Lymphoma | off-label use | ||
| Mycosis | contraindication | 3218000 | DOID:1564 |
| Viral disease | contraindication | 34014006 | DOID:934 |
| Chronic heart failure | contraindication | 48447003 | |
| Hepatic failure | contraindication | 59927004 | |
| Acute infectious disease | contraindication | 63171007 | |
| Leukopenia | contraindication | 84828003 | DOID:615 |
| Left heart failure | contraindication | 85232009 | |
| Bacterial infectious disease | contraindication | 87628006 | |
| Radiation oncology AND/OR radiotherapy | contraindication | 108290001 | |
| Acute disease of cardiovascular system | contraindication | 128487001 | |
| Seizure disorder | contraindication | 128613002 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Pregnancy, function | contraindication | 289908002 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Bone marrow depression | contraindication | 307762000 | |
| Breastfeeding (mother) | contraindication | 413712001 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.37 | acidic |
| pKa2 | 10.7 | acidic |
| pKa3 | 9.13 | Basic |
| pKa4 | 8.52 | Basic |
| pKa5 | 4.01 | Basic |
| pKa6 | 1.49 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| DNA topoisomerase 2-alpha | Enzyme | INHIBITOR | IC90 | 5.96 | WOMBAT-PK | CHEMBL | |||
| Multidrug resistance protein 1 | Transporter | IC50 | 5.84 | WOMBAT-PK | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 5.31 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 5.73 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 6.74 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 7.11 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M4 | GPCR | Ki | 7.05 | DRUG MATRIX | |||||
| Canalicular multispecific organic anion transporter 1 | Transporter | WOMBAT-PK | |||||||
| Multidrug resistance-associated protein 1 | Transporter | IC50 | 6.29 | WOMBAT-PK | |||||
| ATP-binding cassette sub-family G member 2 | Transporter | Kact | 5.16 | WOMBAT-PK | |||||
| Epidermal growth factor receptor | Kinase | IC50 | 5.27 | DRUG MATRIX | |||||
| Tyrosine-protein kinase Fyn | Kinase | IC50 | 5.90 | DRUG MATRIX | |||||
| Receptor tyrosine-protein kinase erbB-2 | Kinase | IC50 | 5.69 | DRUG MATRIX | |||||
| Serine/threonine-protein kinase pim-1 | Kinase | IC50 | 7.29 | CHEMBL | |||||
| Solute carrier family 22 member 1 | Transporter | IC50 | 4.36 | CHEMBL | |||||
| DNA-(apurinic or apyrimidinic site) lyase | Enzyme | IC50 | 5.70 | CHEMBL | |||||
| Tyrosine-protein kinase BTK | Kinase | IC50 | 6 | CHEMBL | |||||
| Proto-oncogene tyrosine-protein kinase ROS | Kinase | IC50 | 5.52 | CHEMBL | |||||
| Solute carrier family 22 member 2 | Transporter | IC50 | 4.13 | CHEMBL | |||||
| Multidrug and toxin extrusion protein 1 | Transporter | IC50 | 6.72 | CHEMBL | |||||
| Multidrug and toxin extrusion protein 2 | Transporter | IC50 | 6.28 | CHEMBL | |||||
| Solute carrier family 22 member 3 | Transporter | IC50 | 4.22 | CHEMBL | |||||
| DNA-3-methyladenine glycosylase | Enzyme | IC50 | 5.60 | CHEMBL | |||||
| Potassium voltage-gated channel subfamily H member 2 | Ion channel | Ki | 5.53 | DRUG MATRIX | |||||
| TAR DNA-binding protein 43 | Cytosolic other | IC50 | 5 | CHEMBL | |||||
| Arachidonate 15-lipoxygenase | Enzyme | IC50 | 5.75 | DRUG MATRIX | |||||
| Integrase | Enzyme | IC50 | 5.42 | CHEMBL | |||||
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Kinase | AC50 | 5.02 | CHEMBL |
| ID | Source |
|---|---|
| 4019842 | VUID |
| N0000147929 | NUI |
| D02166 | KEGG_DRUG |
| 70476-82-3 | SECONDARY_CAS_RN |
| 4019527 | VANDF |
| 4019842 | VANDF |
| C0026259 | UMLSCUI |
| CHEBI:50729 | CHEBI |
| MIX | PDB_CHEM_ID |
| CHEMBL58 | ChEMBL_ID |
| CHEMBL1417019 | ChEMBL_ID |
| D008942 | MESH_DESCRIPTOR_UI |
| DB01204 | DRUGBANK_ID |
| 7242 | IUPHAR_LIGAND_ID |
| 4922 | INN_ID |
| BZ114NVM5P | UNII |
| 4212 | PUBCHEM_CID |
| 203129 | RXNORM |
| 5124 | MMSL |
| 81184 | MMSL |
| d00306 | MMSL |
| 002676 | NDDF |
| 004828 | NDDF |
| 108791001 | SNOMEDCT_US |
| 386913001 | SNOMEDCT_US |
| 412249002 | SNOMEDCT_US |
| BZ114NVM5P | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Mitoxantrone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 61703-343 | INJECTION, SOLUTION, CONCENTRATE | 2 mg | INTRAVENOUS | ANDA | 28 sections |
| Mitoxantrone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 63323-132 | INJECTION, SOLUTION | 2 mg | INTRAVENOUS | ANDA | 15 sections |
| mitoXANTRONE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 71288-178 | INJECTION, SOLUTION, CONCENTRATE | 2 mg | INTRAVENOUS | ANDA | 25 sections |
| mitoXANTRONE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 71288-179 | INJECTION, SOLUTION, CONCENTRATE | 2 mg | INTRAVENOUS | ANDA | 25 sections |