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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2272 | 671-16-9 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 27.11 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| S (Water solubility) | 100 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 100 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,ALK,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,IKBKB,ITK,JAK2,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MET,MTOR,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 46 | |||
| kinase-selectivity-class | AKT3,AXL,CDK4,EIF2AK3,GRK2,GRK3,PDK1,SIK2 | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| July 22, 1969 | FDA | SIGMA TAU |
| 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 |
|---|---|---|---|---|---|---|
| Hepatitis B reactivation | 318.38 | 33.64 | 67 | 4836 | 3907 | 90619637 |
| Acute hepatic failure | 183.13 | 33.64 | 62 | 4841 | 22499 | 90601045 |
| Nausea | 155.89 | 33.64 | 240 | 4663 | 1110076 | 89513468 |
| Full blood count abnormal | 130.10 | 33.64 | 55 | 4848 | 36542 | 90587002 |
| Neutropenia | 98.87 | 33.64 | 88 | 4815 | 224816 | 90398728 |
| Thrombocytopenia | 90.39 | 33.64 | 81 | 4822 | 208644 | 90414900 |
| Hepatic cytolysis | 88.80 | 33.64 | 40 | 4863 | 30876 | 90592668 |
| Fatigue | 74.47 | 33.64 | 180 | 4723 | 1153843 | 89469701 |
| Disease progression | 74.20 | 33.64 | 64 | 4839 | 156551 | 90466993 |
| Basal ganglion degeneration | 64.41 | 33.64 | 12 | 4891 | 370 | 90623174 |
| Necrotising gastritis | 60.23 | 33.64 | 9 | 4894 | 67 | 90623477 |
| Tissue infiltration | 60.14 | 33.64 | 13 | 4890 | 857 | 90622687 |
| Platelet count decreased | 58.90 | 33.64 | 53 | 4850 | 136916 | 90486628 |
| Anaesthesia | 55.95 | 33.64 | 11 | 4892 | 453 | 90623091 |
| Uterine enlargement | 54.47 | 33.64 | 13 | 4890 | 1335 | 90622209 |
| Febrile neutropenia | 54.20 | 33.64 | 54 | 4849 | 158295 | 90465249 |
| Maternal exposure before pregnancy | 54.08 | 33.64 | 21 | 4882 | 11192 | 90612352 |
| Myelodysplastic syndrome | 53.59 | 33.64 | 25 | 4878 | 20878 | 90602666 |
| Second primary malignancy | 52.06 | 33.64 | 20 | 4883 | 10358 | 90613186 |
| Hepatocellular injury | 51.50 | 33.64 | 27 | 4876 | 28931 | 90594613 |
| Psychogenic seizure | 49.28 | 33.64 | 13 | 4890 | 2003 | 90621541 |
| Inguinal hernia | 48.76 | 33.64 | 13 | 4890 | 2085 | 90621459 |
| Constipation | 45.01 | 33.64 | 65 | 4838 | 280330 | 90343214 |
| Neurological decompensation | 42.18 | 33.64 | 13 | 4890 | 3488 | 90620056 |
| Monoplegia | 41.56 | 33.64 | 13 | 4890 | 3661 | 90619883 |
| Dysaesthesia | 40.86 | 33.64 | 14 | 4889 | 5241 | 90618303 |
| Psychiatric decompensation | 40.27 | 33.64 | 11 | 4892 | 1932 | 90621612 |
| Hypochromic anaemia | 39.07 | 33.64 | 11 | 4892 | 2160 | 90621384 |
| Persecutory delusion | 39.02 | 33.64 | 12 | 4891 | 3196 | 90620348 |
| Cytomegalovirus myocarditis | 38.75 | 33.64 | 6 | 4897 | 58 | 90623486 |
| White blood cell count decreased | 38.02 | 33.64 | 46 | 4857 | 167063 | 90456481 |
| Hepatitis G | 36.51 | 33.64 | 6 | 4897 | 87 | 90623457 |
| Intervertebral disc disorder | 36.51 | 33.64 | 13 | 4890 | 5447 | 90618097 |
| Aplasia | 36.44 | 33.64 | 12 | 4891 | 3979 | 90619565 |
| Visceral leishmaniasis | 35.47 | 33.64 | 8 | 4895 | 641 | 90622903 |
| Splenomegaly | 34.81 | 33.64 | 16 | 4887 | 12908 | 90610636 |
| Malignant neoplasm progression | 33.89 | 33.64 | 35 | 4868 | 106835 | 90516709 |
| Meningoencephalitis herpetic | 33.72 | 33.64 | 9 | 4894 | 1450 | 90622094 |
| 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 |
|---|---|---|---|---|---|---|
| Acute myeloid leukaemia | 307.64 | 29.05 | 112 | 5127 | 22144 | 42593952 |
| Second primary malignancy | 229.98 | 29.05 | 73 | 5166 | 9502 | 42606594 |
| Nausea | 209.62 | 29.05 | 249 | 4990 | 396550 | 42219546 |
| Fatigue | 158.83 | 29.05 | 228 | 5011 | 435413 | 42180683 |
| Myelodysplastic syndrome | 127.08 | 29.05 | 60 | 5179 | 22685 | 42593411 |
| Malignant transformation | 124.81 | 29.05 | 28 | 5211 | 950 | 42615146 |
| Neutropenia | 110.78 | 29.05 | 129 | 5110 | 199302 | 42416794 |
| Blood stem cell transplant failure | 96.91 | 29.05 | 20 | 5219 | 453 | 42615643 |
| Myositis | 76.24 | 29.05 | 37 | 5202 | 14829 | 42601267 |
| Full blood count abnormal | 66.62 | 29.05 | 43 | 5196 | 29833 | 42586263 |
| Hepatocellular injury | 60.10 | 29.05 | 37 | 5202 | 23641 | 42592455 |
| Neoplasm progression | 55.61 | 29.05 | 38 | 5201 | 28962 | 42587134 |
| Disease progression | 52.91 | 29.05 | 76 | 5163 | 143580 | 42472516 |
| Transformation to acute myeloid leukaemia | 51.05 | 29.05 | 14 | 5225 | 1091 | 42615005 |
| Premature ageing | 43.84 | 29.05 | 8 | 5231 | 92 | 42616004 |
| Hepatic cancer | 43.14 | 29.05 | 21 | 5218 | 8459 | 42607637 |
| Malignant neoplasm progression | 42.31 | 29.05 | 59 | 5180 | 108341 | 42507755 |
| Angiodysplasia | 40.91 | 29.05 | 11 | 5228 | 796 | 42615300 |
| Hepatic cytolysis | 37.39 | 29.05 | 29 | 5210 | 26815 | 42589281 |
| Platelet count decreased | 36.64 | 29.05 | 63 | 5176 | 138518 | 42477578 |
| Heart disease congenital | 34.60 | 29.05 | 11 | 5228 | 1431 | 42614665 |
| Leukoencephalopathy | 33.69 | 29.05 | 15 | 5224 | 4939 | 42611157 |
| Neuropathy peripheral | 33.29 | 29.05 | 51 | 5188 | 101802 | 42514294 |
| Constipation | 33.12 | 29.05 | 66 | 5173 | 162225 | 42453871 |
| Herpes simplex encephalitis | 33.12 | 29.05 | 8 | 5231 | 376 | 42615720 |
| Congenital hepatobiliary anomaly | 30.44 | 29.05 | 5 | 5234 | 29 | 42616067 |
| Flagellate dermatitis | 29.73 | 29.05 | 6 | 5233 | 121 | 42615975 |
| Hair growth abnormal | 29.58 | 29.05 | 9 | 5230 | 1013 | 42615083 |
| 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 |
|---|---|---|---|---|---|---|
| Acute myeloid leukaemia | 333.34 | 28.28 | 118 | 7580 | 37992 | 110543609 |
| Second primary malignancy | 291.84 | 28.28 | 89 | 7609 | 17979 | 110563622 |
| Neutropenia | 197.33 | 28.28 | 181 | 7517 | 374439 | 110207162 |
| Myelodysplastic syndrome | 183.21 | 28.28 | 76 | 7622 | 37408 | 110544193 |
| Hepatic cytolysis | 131.67 | 28.28 | 68 | 7630 | 54985 | 110526616 |
| Disease progression | 130.32 | 28.28 | 119 | 7579 | 243915 | 110337686 |
| Malignant transformation | 122.70 | 28.28 | 27 | 7671 | 1498 | 110580103 |
| Hepatocellular injury | 122.40 | 28.28 | 63 | 7635 | 50579 | 110531022 |
| Malignant neoplasm progression | 96.77 | 28.28 | 87 | 7611 | 174480 | 110407121 |
| Febrile neutropenia | 87.73 | 28.28 | 109 | 7589 | 316658 | 110264943 |
| Blood stem cell transplant failure | 82.17 | 28.28 | 17 | 7681 | 701 | 110580900 |
| Neoplasm progression | 79.94 | 28.28 | 52 | 7646 | 64543 | 110517058 |
| Thrombocytopenia | 73.44 | 28.28 | 105 | 7593 | 348780 | 110232821 |
| Myositis | 73.11 | 28.28 | 38 | 7660 | 31078 | 110550523 |
| Necrotising gastritis | 64.22 | 28.28 | 10 | 7688 | 76 | 110581525 |
| Basal ganglion degeneration | 59.80 | 28.28 | 12 | 7686 | 424 | 110581177 |
| Uterine enlargement | 55.26 | 28.28 | 13 | 7685 | 972 | 110580629 |
| Tissue infiltration | 54.52 | 28.28 | 13 | 7685 | 1030 | 110580571 |
| Anaesthesia | 50.29 | 28.28 | 11 | 7687 | 593 | 110581008 |
| Hepatitis B reactivation | 49.88 | 28.28 | 19 | 7679 | 7465 | 110574136 |
| Leukoencephalopathy | 49.50 | 28.28 | 20 | 7678 | 9175 | 110572426 |
| Febrile bone marrow aplasia | 48.84 | 28.28 | 24 | 7674 | 17441 | 110564160 |
| Premature ageing | 47.77 | 28.28 | 8 | 7690 | 100 | 110581501 |
| Paraparesis | 47.04 | 28.28 | 16 | 7682 | 4550 | 110577051 |
| Bone marrow failure | 46.95 | 28.28 | 36 | 7662 | 57812 | 110523789 |
| Hepatic cancer | 45.77 | 28.28 | 20 | 7678 | 11136 | 110570465 |
| Psychogenic seizure | 43.98 | 28.28 | 13 | 7685 | 2351 | 110579250 |
| Pancytopenia | 42.44 | 28.28 | 62 | 7636 | 209551 | 110372050 |
| Full blood count abnormal | 41.42 | 28.28 | 33 | 7665 | 56019 | 110525582 |
| Dysaesthesia | 40.71 | 28.28 | 16 | 7682 | 6831 | 110574770 |
| Off label use | 40.46 | 28.28 | 208 | 7490 | 1499977 | 109081624 |
| Angiodysplasia | 40.33 | 28.28 | 11 | 7687 | 1491 | 110580110 |
| Osteonecrosis | 38.90 | 28.28 | 26 | 7672 | 33715 | 110547886 |
| Product use in unapproved indication | 37.96 | 28.28 | 91 | 7607 | 447286 | 110134315 |
| Benign prostatic hyperplasia | 36.44 | 28.28 | 20 | 7678 | 18214 | 110563387 |
| Haematotoxicity | 36.37 | 28.28 | 21 | 7677 | 21061 | 110560540 |
| Transformation to acute myeloid leukaemia | 35.58 | 28.28 | 10 | 7688 | 1513 | 110580088 |
| Pneumocystis jirovecii pneumonia | 35.57 | 28.28 | 27 | 7671 | 42708 | 110538893 |
| Peripheral sensory neuropathy | 35.29 | 28.28 | 19 | 7679 | 16661 | 110564940 |
| Cytomegalovirus myocarditis | 35.00 | 28.28 | 6 | 7692 | 87 | 110581514 |
| Monoplegia | 34.66 | 28.28 | 13 | 7685 | 4896 | 110576705 |
| Neurological decompensation | 33.74 | 28.28 | 14 | 7684 | 6869 | 110574732 |
| Hepatitis G | 33.68 | 28.28 | 6 | 7692 | 110 | 110581491 |
| Intervertebral disc disorder | 33.19 | 28.28 | 13 | 7685 | 5499 | 110576102 |
| Septic shock | 32.45 | 28.28 | 47 | 7651 | 157481 | 110424120 |
| Therapy partial responder | 32.14 | 28.28 | 24 | 7674 | 37037 | 110544564 |
| Hypochromic anaemia | 32.12 | 28.28 | 11 | 7687 | 3190 | 110578411 |
| Acute kidney injury | 32.01 | 28.28 | 107 | 7591 | 635323 | 109946278 |
| Herpes simplex encephalitis | 31.37 | 28.28 | 8 | 7690 | 837 | 110580764 |
| Mucocutaneous leishmaniasis | 29.75 | 28.28 | 7 | 7691 | 524 | 110581077 |
| Klebsiella infection | 29.47 | 28.28 | 18 | 7680 | 19991 | 110561610 |
| Drug clearance decreased | 29.41 | 28.28 | 11 | 7687 | 4111 | 110577490 |
| Meningoencephalitis amoebic | 29.22 | 28.28 | 6 | 7692 | 238 | 110581363 |
| Inguinal hernia | 28.96 | 28.28 | 13 | 7685 | 7712 | 110573889 |
| Spindle cell sarcoma | 28.75 | 28.28 | 6 | 7692 | 258 | 110581343 |
| Acanthamoeba infection | 28.63 | 28.28 | 7 | 7691 | 616 | 110580985 |
None
| Source | Code | Description |
|---|---|---|
| ATC | L01XB01 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS OTHER ANTINEOPLASTIC AGENTS Methylhydrazines |
| FDA MoA | N0000000236 | Alkylating Activity |
| FDA EPC | N0000175558 | Alkylating Drug |
| MeSH PA | D000970 | Antineoplastic Agents |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hodgkin's disease | indication | 118599009 | |
| Astrocytoma, anaplastic | off-label use | 55353007 | DOID:3078 |
| Diffuse non-Hodgkin's lymphoma, large cell | off-label use | 109969005 | |
| Polycythemia vera | off-label use | 109992005 | |
| Mycosis fungoides | off-label use | 118618005 | |
| Glioblastoma multiforme of brain | off-label use | 276828006 | DOID:3073 |
| Malignant neoplasm of brain | off-label use | 428061005 | DOID:1319 |
| Mycosis | contraindication | 3218000 | DOID:1564 |
| Alcoholism | contraindication | 7200002 | |
| Viral disease | contraindication | 34014006 | DOID:934 |
| Acute nephropathy | contraindication | 58574008 | |
| Hepatic failure | contraindication | 59927004 | |
| Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
| Leukopenia | contraindication | 84828003 | DOID:615 |
| Bacterial infectious disease | contraindication | 87628006 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Pregnancy, function | contraindication | 289908002 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Peripheral nerve disease | contraindication | 302226006 | |
| Bone marrow depression | contraindication | 307762000 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Smokes tobacco daily | contraindication | 449868002 | |
| Protozoal Infection | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.29 | acidic |
| pKa2 | 7.0 | Basic |
None
None
None
| ID | Source |
|---|---|
| 4019906 | VUID |
| N0000147991 | NUI |
| D00478 | KEGG_DRUG |
| 366-70-1 | SECONDARY_CAS_RN |
| 4017789 | VANDF |
| 4019906 | VANDF |
| C0033223 | UMLSCUI |
| CHEBI:71417 | CHEBI |
| CHEMBL1321 | ChEMBL_ID |
| DB01168 | DRUGBANK_ID |
| CHEMBL1200410 | ChEMBL_ID |
| D011344 | MESH_DESCRIPTOR_UI |
| 4915 | PUBCHEM_CID |
| 7278 | IUPHAR_LIGAND_ID |
| 2147 | INN_ID |
| 35S93Y190K | UNII |
| 66925 | RXNORM |
| 5360 | MMSL |
| d00354 | MMSL |
| 002672 | NDDF |
| 004827 | NDDF |
| 10174003 | SNOMEDCT_US |
| 387474003 | SNOMEDCT_US |
| 81583003 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Matulane | HUMAN PRESCRIPTION DRUG LABEL | 1 | 54482-054 | CAPSULE | 50 mg | ORAL | NDA | 23 sections |