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| Stem definition | Drug id | CAS RN |
|---|---|---|
| ecteinascidin derivatives | 4633 | 114899-77-3 |
None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 25 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 12 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.06 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 44 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,IGF1R,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 53 | |||
| kinase-selectivity-class | ACVR2B,EIF2AK3,GRK2,MAP2K6 | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 4, 2015 | PMDA | ||
| Oct. 23, 2015 | FDA | JANSSEN PRODS | |
| Sept. 17, 2007 | EMA | Pharma Mar S.A. |
| 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 |
|---|---|---|---|---|---|---|
| Neutropenia | 278.94 | 46.04 | 150 | 3601 | 224754 | 90399942 |
| Pancytopenia | 203.20 | 46.04 | 99 | 3652 | 120164 | 90504532 |
| Febrile neutropenia | 180.24 | 46.04 | 100 | 3651 | 158249 | 90466447 |
| Thrombocytopenia | 169.68 | 46.04 | 106 | 3645 | 208619 | 90416077 |
| Anaemia | 166.21 | 46.04 | 128 | 3623 | 352674 | 90272022 |
| Rhabdomyolysis | 136.43 | 46.04 | 58 | 3693 | 51198 | 90573498 |
| Blood creatine phosphokinase increased | 105.65 | 46.04 | 43 | 3708 | 33980 | 90590716 |
| Alanine aminotransferase increased | 95.64 | 46.04 | 60 | 3691 | 118278 | 90506418 |
| Aspartate aminotransferase increased | 82.66 | 46.04 | 52 | 3699 | 102885 | 90521811 |
| Leukopenia | 73.72 | 46.04 | 48 | 3703 | 100662 | 90524034 |
| Neutrophil count decreased | 69.91 | 46.04 | 41 | 3710 | 71491 | 90553205 |
| Transaminases increased | 66.76 | 46.04 | 32 | 3719 | 37160 | 90587536 |
| Acute myeloid leukaemia | 63.75 | 46.04 | 26 | 3725 | 20614 | 90604082 |
| Disease progression | 60.95 | 46.04 | 51 | 3700 | 156564 | 90468132 |
| Capillary leak syndrome | 58.27 | 46.04 | 15 | 3736 | 2752 | 90621944 |
| Platelet count decreased | 49.98 | 46.04 | 43 | 3708 | 136926 | 90487770 |
| Asthenia | 48.12 | 46.04 | 82 | 3669 | 533669 | 90091027 |
| Nausea | 47.91 | 46.04 | 126 | 3625 | 1110190 | 89514506 |
| Extravasation | 47.77 | 46.04 | 13 | 3738 | 2951 | 90621745 |
| Hepatotoxicity | 46.68 | 46.04 | 27 | 3724 | 45815 | 90578881 |
| 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 |
|---|---|---|---|---|---|---|
| Haematotoxicity | 130.93 | 41.65 | 38 | 1731 | 10947 | 42608619 |
| Rhabdomyolysis | 96.28 | 41.65 | 52 | 1717 | 77967 | 42541599 |
| Pancytopenia | 71.74 | 41.65 | 50 | 1719 | 117693 | 42501873 |
| Thrombocytopenia | 64.25 | 41.65 | 57 | 1712 | 190222 | 42429344 |
| Hepatotoxicity | 62.05 | 41.65 | 27 | 1742 | 25140 | 42594426 |
| Disease progression | 54.41 | 41.65 | 46 | 1723 | 143610 | 42475956 |
| Alanine aminotransferase increased | 52.49 | 41.65 | 37 | 1732 | 88369 | 42531197 |
| Neutropenia | 52.39 | 41.65 | 52 | 1717 | 199379 | 42420187 |
| Aspartate aminotransferase increased | 49.79 | 41.65 | 34 | 1735 | 77129 | 42542437 |
| Transaminases increased | 46.32 | 41.65 | 24 | 1745 | 32861 | 42586705 |
| Neutrophil count decreased | 43.42 | 41.65 | 29 | 1740 | 63386 | 42556180 |
| 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 |
|---|---|---|---|---|---|---|
| Neutropenia | 237.55 | 42.08 | 168 | 4805 | 374452 | 110209874 |
| Pancytopenia | 224.68 | 42.08 | 131 | 4842 | 209482 | 110374844 |
| Thrombocytopenia | 183.68 | 42.08 | 140 | 4833 | 348745 | 110235581 |
| Rhabdomyolysis | 183.39 | 42.08 | 95 | 4878 | 120306 | 110464020 |
| Anaemia | 162.26 | 42.08 | 158 | 4815 | 546928 | 110037398 |
| Febrile neutropenia | 159.79 | 42.08 | 124 | 4849 | 316643 | 110267683 |
| Haematotoxicity | 153.45 | 42.08 | 51 | 4922 | 21031 | 110563295 |
| Disease progression | 121.73 | 42.08 | 95 | 4878 | 243939 | 110340387 |
| Alanine aminotransferase increased | 114.99 | 42.08 | 82 | 4891 | 183691 | 110400635 |
| Aspartate aminotransferase increased | 101.48 | 42.08 | 72 | 4901 | 159864 | 110424462 |
| Neutrophil count decreased | 99.57 | 42.08 | 64 | 4909 | 120877 | 110463449 |
| Transaminases increased | 99.19 | 42.08 | 51 | 4922 | 63339 | 110520987 |
| Leukopenia | 92.12 | 42.08 | 66 | 4907 | 148725 | 110435601 |
| Hepatotoxicity | 84.96 | 42.08 | 46 | 4927 | 63354 | 110520972 |
| Blood creatine phosphokinase increased | 73.61 | 42.08 | 44 | 4929 | 73033 | 110511293 |
| Platelet count decreased | 70.63 | 42.08 | 68 | 4905 | 230375 | 110353951 |
| Hepatic function abnormal | 63.12 | 42.08 | 43 | 4930 | 89252 | 110495074 |
| Capillary leak syndrome | 57.10 | 42.08 | 17 | 4956 | 4891 | 110579435 |
| Acute myeloid leukaemia | 54.82 | 42.08 | 29 | 4944 | 38081 | 110546245 |
| Hypertransaminasaemia | 54.45 | 42.08 | 25 | 4948 | 24230 | 110560096 |
| Extravasation | 48.72 | 42.08 | 15 | 4958 | 4830 | 110579496 |
| White blood cell count decreased | 45.90 | 42.08 | 54 | 4919 | 229336 | 110354990 |
| Device related infection | 42.93 | 42.08 | 25 | 4948 | 39494 | 110544832 |
None
| Source | Code | Description |
|---|---|---|
| ATC | L01CX01 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS Other plant alkaloids and natural products |
| FDA MoA | N0000000236 | Alkylating Activity |
| FDA EPC | N0000175558 | Alkylating Drug |
| MeSH PA | D000477 | Alkylating Agents |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D018906 | Antineoplastic Agents, Alkylating |
| CHEBI has role | CHEBI:22333 | alkylating agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:50926 | angiogenesis modulating agent |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:76507 | marine metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Liposarcoma | indication | 254829001 | DOID:3382 |
| Malignant tumor of ovary | indication | 363443007 | DOID:2394 |
| Leiomyosarcoma | indication | 443719001 | DOID:1967 |
| Soft or Connective Tissue Sarcoma | indication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.18 | acidic |
| pKa2 | 10.36 | acidic |
| pKa3 | 10.93 | acidic |
| pKa4 | 8.21 | Basic |
| pKa5 | 7.59 | Basic |
| pKa6 | 1.0 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | Kinase | IC50 | 6.68 | CHEMBL | |||||
| Nuclear receptor subfamily 1 group I member 2 | Nuclear hormone receptor | ANTAGONIST | IC50 | 8.52 | IUPHAR |
| ID | Source |
|---|---|
| D06199 | KEGG_DRUG |
| 4035010 | VANDF |
| CHEBI:84050 | CHEBI |
| ECT | PDB_CHEM_ID |
| CHEMBL450449 | ChEMBL_ID |
| 2774 | IUPHAR_LIGAND_ID |
| 8206 | INN_ID |
| DB05109 | DRUGBANK_ID |
| ID0YZQ2TCP | UNII |
| 1716278 | RXNORM |
| 165758 | MMSL |
| 26244 | MMSL |
| d07398 | MMSL |
| 012537 | NDDF |
| 432214004 | SNOMEDCT_US |
| 433127001 | SNOMEDCT_US |
| C1311070 | UMLSCUI |
| D000077606 | MESH_DESCRIPTOR_UI |
| 108150 | PUBCHEM_CID |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| YONDELIS | HUMAN PRESCRIPTION DRUG LABEL | 1 | 59676-610 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 0.05 mg | INTRAVENOUS | NDA | 30 sections |
| YONDELIS | HUMAN PRESCRIPTION DRUG LABEL | 1 | 59676-610 | INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION | 0.05 mg | INTRAVENOUS | NDA | 30 sections |
| EVDI | HUMAN PRESCRIPTION DRUG LABEL | 1 | 60505-6423 | INJECTION, SOLUTION, CONCENTRATE | 0.05 mg | INTRAVENOUS | NDA | 29 sections |