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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antineoplastics, daunorubicin derivatives | 80 | 57576-44-0 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,GSK3B,ITK,KDR,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 | 38 | |||
| kinase-selectivity-class | MAP2K6,PDK1 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| 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 |
|---|---|---|---|---|---|---|
| Myelosuppression | 150.14 | 80.23 | 38 | 439 | 53553 | 90574417 |
| Bone marrow failure | 105.73 | 80.23 | 26 | 451 | 32195 | 90595775 |
| 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 |
|---|---|---|---|---|---|---|
| Myelosuppression | 128.26 | 64.67 | 39 | 552 | 40422 | 42580322 |
| Bone marrow failure | 92.40 | 64.67 | 29 | 562 | 33064 | 42587680 |
| Thrombocytopenia | 69.83 | 64.67 | 39 | 552 | 190240 | 42430504 |
| Neutropenia | 65.42 | 64.67 | 38 | 553 | 199393 | 42421351 |
| 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 |
|---|---|---|---|---|---|---|
| Myelosuppression | 250.80 | 93.36 | 74 | 1053 | 94266 | 110493906 |
| Bone marrow failure | 196.39 | 93.36 | 55 | 1072 | 57793 | 110530379 |
| Thrombocytopenia | 120.34 | 93.36 | 62 | 1065 | 348823 | 110239349 |
| Neutropenia | 107.73 | 93.36 | 59 | 1068 | 374561 | 110213611 |
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| Source | Code | Description |
|---|---|---|
| ATC | L01DB04 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES Anthracyclines and related substances |
| MeSH PA | D000276 | Adjuvants, Immunologic |
| MeSH PA | D000903 | Antibiotics, Antineoplastic |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D007155 | Immunologic Factors |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D059005 | Topoisomerase II Inhibitors |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:50750 | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| CHEBI has role | CHEBI:68495 | apoptosis inducer |
| CHEBI has role | CHEBI:76969 | bacterial metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Acute myeloid leukemia, disease | indication | 91861009 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.01 | acidic |
| pKa2 | 9.34 | acidic |
| pKa3 | 8.65 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| DNA topoisomerase 1 | Enzyme | INHIBITOR | KEGG DRUG | KEGG DRUG | |||||
| DNA topoisomerase II | Enzyme | INHIBITOR | KEGG DRUG | KEGG DRUG | |||||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 6.15 | DRUG MATRIX | |||||
| 72 kDa type IV collagenase | Enzyme | IC50 | 5 | CHEMBL |
| ID | Source |
|---|---|
| N0000168464 | NUI |
| D01911 | KEGG_DRUG |
| 239 | RXNORM |
| C0001143 | UMLSCUI |
| CHEBI:74619 | CHEBI |
| CHEMBL502620 | ChEMBL_ID |
| D015250 | MESH_DESCRIPTOR_UI |
| DB11617 | DRUGBANK_ID |
| C011157 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4945 | INN_ID |
| 74KXF8I502 | UNII |
| 451415 | PUBCHEM_CID |
| CHEMBL1697719 | ChEMBL_ID |
| 75443-99-1 | SECONDARY_CAS_RN |
| 003919 | NDDF |
| 003920 | NDDF |
| 326830005 | SNOMEDCT_US |
| 391713006 | SNOMEDCT_US |
| 391714000 | SNOMEDCT_US |
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