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) | 7.50 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 7 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.78 µM/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 |
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 | 259.79 | 26.57 | 149 | 4988 | 94478 | 46586447 |
Acute myeloid leukaemia | 248.15 | 26.57 | 85 | 5052 | 15693 | 46665232 |
Myelodysplastic syndrome | 158.45 | 26.57 | 61 | 5076 | 15650 | 46665275 |
Second primary malignancy | 117.32 | 26.57 | 39 | 5098 | 6545 | 46674380 |
Acute promyelocytic leukaemia | 112.87 | 26.57 | 25 | 5112 | 896 | 46680029 |
Pancytopenia | 105.85 | 26.57 | 82 | 5055 | 84976 | 46595949 |
Sepsis | 101.80 | 26.57 | 98 | 5039 | 135916 | 46545009 |
Neutropenia | 97.53 | 26.57 | 98 | 5039 | 143106 | 46537819 |
Leukaemia recurrent | 83.81 | 26.57 | 21 | 5116 | 1288 | 46679637 |
Thrombocytopenia | 77.75 | 26.57 | 82 | 5055 | 126499 | 46554426 |
Acute myeloid leukaemia recurrent | 77.57 | 26.57 | 20 | 5117 | 1376 | 46679549 |
Haemophagocytic lymphohistiocytosis | 72.13 | 26.57 | 29 | 5108 | 8313 | 46672612 |
Progressive multifocal leukoencephalopathy | 66.71 | 26.57 | 30 | 5107 | 11316 | 46669609 |
Bone marrow failure | 66.15 | 26.57 | 41 | 5096 | 29628 | 46651297 |
Acute lymphocytic leukaemia recurrent | 65.09 | 26.57 | 19 | 5118 | 2076 | 46678849 |
Bronchopulmonary aspergillosis | 64.61 | 26.57 | 26 | 5111 | 7470 | 46673455 |
Chronic hepatitis | 56.66 | 26.57 | 14 | 5123 | 810 | 46680115 |
Febrile bone marrow aplasia | 56.38 | 26.57 | 23 | 5114 | 6839 | 46674086 |
Product use in unapproved indication | 52.74 | 26.57 | 57 | 5080 | 90216 | 46590709 |
Lower respiratory tract infection fungal | 49.32 | 26.57 | 10 | 5127 | 232 | 46680693 |
Mucormycosis | 46.56 | 26.57 | 15 | 5122 | 2277 | 46678648 |
Chloroma | 45.29 | 26.57 | 9 | 5128 | 188 | 46680737 |
Haematotoxicity | 42.88 | 26.57 | 19 | 5118 | 6914 | 46674011 |
Abdominal wall wound | 41.55 | 26.57 | 7 | 5130 | 55 | 46680870 |
Streptococcal bacteraemia | 41.14 | 26.57 | 12 | 5125 | 1307 | 46679618 |
Cardiac failure | 40.70 | 26.57 | 47 | 5090 | 79901 | 46601024 |
B precursor type acute leukaemia | 39.28 | 26.57 | 8 | 5129 | 190 | 46680735 |
Bone marrow infiltration | 38.33 | 26.57 | 9 | 5128 | 419 | 46680506 |
Graft versus host disease | 37.39 | 26.57 | 17 | 5120 | 6571 | 46674354 |
Hypogammaglobulinaemia | 37.20 | 26.57 | 16 | 5121 | 5422 | 46675503 |
Myeloblast percentage decreased | 36.35 | 26.57 | 6 | 5131 | 41 | 46680884 |
Refractory cytopenia with multilineage dysplasia | 35.75 | 26.57 | 7 | 5130 | 135 | 46680790 |
Hepatitis E | 33.10 | 26.57 | 10 | 5127 | 1229 | 46679696 |
Stenotrophomonas infection | 30.46 | 26.57 | 10 | 5127 | 1610 | 46679315 |
Stem cell transplant | 29.61 | 26.57 | 10 | 5127 | 1756 | 46679169 |
Diffuse large B-cell lymphoma | 29.58 | 26.57 | 14 | 5123 | 5924 | 46675001 |
Bacterial sepsis | 29.45 | 26.57 | 12 | 5125 | 3555 | 46677370 |
Colitis | 27.99 | 26.57 | 27 | 5110 | 37320 | 46643605 |
Clostridium bacteraemia | 27.77 | 26.57 | 6 | 5131 | 191 | 46680734 |
Aspergillus infection | 27.60 | 26.57 | 14 | 5123 | 6876 | 46674049 |
Venoocclusive liver disease | 27.42 | 26.57 | 12 | 5125 | 4239 | 46676686 |
Differentiation syndrome | 27.14 | 26.57 | 8 | 5129 | 903 | 46680022 |
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 | 331.34 | 21.69 | 231 | 6134 | 106462 | 29839651 |
Acute myeloid leukaemia | 182.91 | 21.69 | 85 | 6280 | 17921 | 29928192 |
Myelodysplastic syndrome | 161.29 | 21.69 | 79 | 6286 | 18699 | 29927414 |
Neutropenia | 100.96 | 21.69 | 130 | 6235 | 128410 | 29817703 |
Septic shock | 83.37 | 21.69 | 84 | 6281 | 63523 | 29882590 |
Bone marrow failure | 81.51 | 21.69 | 60 | 6305 | 29725 | 29916388 |
Mucormycosis | 73.15 | 21.69 | 31 | 6334 | 5237 | 29940876 |
Acute lymphocytic leukaemia recurrent | 70.28 | 21.69 | 25 | 6340 | 2642 | 29943471 |
Fungal infection | 68.10 | 21.69 | 40 | 6325 | 13560 | 29932553 |
Bronchopulmonary aspergillosis | 66.48 | 21.69 | 38 | 6327 | 12246 | 29933867 |
Second primary malignancy | 64.43 | 21.69 | 30 | 6335 | 6326 | 29939787 |
Minimal residual disease | 53.59 | 21.69 | 12 | 6353 | 228 | 29945885 |
Ameloblastoma | 52.19 | 21.69 | 10 | 6355 | 84 | 29946029 |
Leukaemia recurrent | 46.37 | 21.69 | 16 | 6349 | 1545 | 29944568 |
Aspiration bone marrow abnormal | 44.53 | 21.69 | 9 | 6356 | 102 | 29946011 |
Hypertensive hydrocephalus | 42.10 | 21.69 | 8 | 6357 | 64 | 29946049 |
High-grade B-cell lymphoma | 40.92 | 21.69 | 9 | 6356 | 157 | 29945956 |
Neoplasm progression | 37.71 | 21.69 | 31 | 6334 | 17992 | 29928121 |
Haematopoietic neoplasm | 37.53 | 21.69 | 7 | 6358 | 50 | 29946063 |
Thrombocytopenia | 36.50 | 21.69 | 86 | 6279 | 136958 | 29809155 |
Neoplasm recurrence | 36.30 | 21.69 | 14 | 6351 | 1853 | 29944260 |
Aspergillus infection | 35.88 | 21.69 | 24 | 6341 | 10190 | 29935923 |
Abscess fungal | 35.53 | 21.69 | 8 | 6357 | 156 | 29945957 |
Cytogenetic abnormality | 35.13 | 21.69 | 11 | 6354 | 783 | 29945330 |
Clostridium bacteraemia | 33.54 | 21.69 | 7 | 6358 | 94 | 29946019 |
Cardiotoxicity | 33.21 | 21.69 | 17 | 6348 | 4397 | 29941716 |
Multiple organ dysfunction syndrome | 33.13 | 21.69 | 53 | 6312 | 63434 | 29882679 |
Pneumonia fungal | 32.31 | 21.69 | 18 | 6347 | 5515 | 29940598 |
Product use in unapproved indication | 31.15 | 21.69 | 56 | 6309 | 73637 | 29872476 |
Gallbladder adenocarcinoma | 30.36 | 21.69 | 5 | 6360 | 15 | 29946098 |
Acute lymphocytic leukaemia | 29.58 | 21.69 | 14 | 6351 | 3058 | 29943055 |
Venoocclusive liver disease | 29.33 | 21.69 | 18 | 6347 | 6595 | 29939518 |
Bacteraemia | 28.92 | 21.69 | 25 | 6340 | 15535 | 29930578 |
Mucosal inflammation | 28.90 | 21.69 | 34 | 6331 | 30460 | 29915653 |
Klebsiella infection | 28.66 | 21.69 | 18 | 6347 | 6869 | 29939244 |
Respiratory tract infection fungal | 28.56 | 21.69 | 9 | 6356 | 654 | 29945459 |
Refractory anaemia with an excess of blasts | 28.53 | 21.69 | 8 | 6357 | 388 | 29945725 |
Pancytopenia | 27.83 | 21.69 | 58 | 6307 | 84994 | 29861119 |
Colitis | 26.97 | 21.69 | 33 | 6332 | 30787 | 29915326 |
Enamel anomaly | 26.84 | 21.69 | 6 | 6359 | 113 | 29946000 |
Klebsiella sepsis | 26.84 | 21.69 | 11 | 6354 | 1706 | 29944407 |
Genotoxicity | 26.77 | 21.69 | 5 | 6360 | 36 | 29946077 |
Cystitis haemorrhagic | 26.40 | 21.69 | 15 | 6350 | 4772 | 29941341 |
Hyperammonaemic encephalopathy | 26.08 | 21.69 | 11 | 6354 | 1833 | 29944280 |
Large granular lymphocytosis | 25.75 | 21.69 | 6 | 6359 | 137 | 29945976 |
Disease progression | 25.58 | 21.69 | 54 | 6311 | 79820 | 29866293 |
Sepsis | 24.98 | 21.69 | 78 | 6287 | 146317 | 29799796 |
Progressive multifocal leukoencephalopathy | 24.27 | 21.69 | 18 | 6347 | 8995 | 29937118 |
Fungaemia | 24.07 | 21.69 | 11 | 6354 | 2220 | 29943893 |
Gene mutation | 22.78 | 21.69 | 8 | 6357 | 813 | 29945300 |
Osteonecrosis | 22.35 | 21.69 | 22 | 6343 | 16113 | 29930000 |
Cholangitis infective | 21.98 | 21.69 | 6 | 6359 | 263 | 29945850 |
Drug resistance | 21.70 | 21.69 | 24 | 6341 | 20109 | 29926004 |
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 |
FDA EPC | N0000175609 | Topoisomerase Inhibitor |
MeSH PA | D000700 | Analgesics |
MeSH PA | D000970 | Antineoplastic Agents |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D004791 | Enzyme Inhibitors |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D018689 | Sensory System Agents |
MeSH PA | D059005 | Topoisomerase II Inhibitors |
CHEBI has role | CHEBI:23240 | chromophores |
CHEBI has role | CHEBI:37958 | dyes |
CHEBI has role | CHEBI:76924 | plant metabolites |
CHEBI has role | CHEBI:35610 | cytostatic |
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 |
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 | |||
Potassium voltage-gated channel subfamily H member 2 | Ion channel | Ki | 5.53 | DRUG MATRIX | |||||
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 | |||||
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 | |||||
ATP-binding cassette sub-family G member 2 | Transporter | Kact | 5.15 | WOMBAT-PK | |||||
Multidrug resistance-associated protein 1 | Transporter | IC50 | 6.29 | WOMBAT-PK | |||||
Canalicular multispecific organic anion transporter 1 | Transporter | WOMBAT-PK | |||||||
Multidrug resistance protein 1 | Transporter | IC50 | 5.84 | WOMBAT-PK | |||||
Solute carrier family 22 member 3 | Transporter | IC50 | 4.22 | CHEMBL | |||||
Solute carrier family 22 member 1 | Transporter | IC50 | 4.36 | CHEMBL | |||||
Solute carrier family 22 member 2 | Transporter | IC50 | 4.13 | CHEMBL | |||||
Tyrosine-protein kinase BTK | Kinase | IC50 | 6 | CHEMBL | |||||
Serine/threonine-protein kinase pim-1 | Kinase | IC50 | 7.29 | CHEMBL | |||||
Multidrug and toxin extrusion protein 2 | Transporter | IC50 | 6.28 | CHEMBL | |||||
Multidrug and toxin extrusion protein 1 | Transporter | IC50 | 6.72 | CHEMBL | |||||
DNA-3-methyladenine glycosylase | Enzyme | IC50 | 5.60 | CHEMBL | |||||
Arachidonate 15-lipoxygenase | Enzyme | IC50 | 5.75 | DRUG MATRIX | |||||
Integrase | Enzyme | IC50 | 5.42 | CHEMBL | |||||
Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Unclassified | 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:37484 | CHEBI |
MIX | PDB_CHEM_ID |
CHEMBL58 | ChEMBL_ID |
CHEMBL1417019 | ChEMBL_ID |
CHEMBL1200827 | ChEMBL_ID |
D008942 | MESH_DESCRIPTOR_UI |
DB01204 | DRUGBANK_ID |
4212 | PUBCHEM_CID |
7242 | IUPHAR_LIGAND_ID |
4922 | INN_ID |
BZ114NVM5P | UNII |
203129 | RXNORM |
5124 | MMSL |
81184 | MMSL |
d00306 | MMSL |
002676 | NDDF |
004828 | NDDF |
108791001 | SNOMEDCT_US |
386913001 | SNOMEDCT_US |
412249002 | SNOMEDCT_US |
Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
---|---|---|---|---|---|---|---|---|
mitoXANTRONE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0703-4680 | INJECTION, SOLUTION, CONCENTRATE | 2 mg | INTRAVENOUS | ANDA | 24 sections |
mitoXANTRONE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0703-4685 | INJECTION, SOLUTION, CONCENTRATE | 2 mg | INTRAVENOUS | ANDA | 24 sections |
mitoXANTRONE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0703-4686 | INJECTION, SOLUTION, CONCENTRATE | 2 mg | INTRAVENOUS | ANDA | 24 sections |
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 |