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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2739 | 51-18-3 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK16,CDK19,CDK5,CDK7,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHA2,EPHB4,ERBB2,FLT3,GRK1,GRK2,GSK3B,ITK,JAK1,JAK2,KIT,MAP3K1,MAP3K10,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK1,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 | 73 | |||
| kinase-selectivity-class | BRAF,GRK2,PIK3CB,PIK3CD,PIK3CG,PRKDC,TTK | 7 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| 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:67105 | insect sterilant |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Malignant tumor of ovary | indication | 363443007 | DOID:2394 |
| Mood swings | contraindication | 18963009 | |
| Ataxia | contraindication | 20262006 | |
| Leukopenia | contraindication | 84828003 | DOID:615 |
| 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 | |
| Vertigo | contraindication | 399153001 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Unconscious | contraindication | 418107008 | |
| Severe Bone Marrow Depression | contraindication |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.42 | Basic |
| pKa2 | 1.8 | Basic |
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| ID | Source |
|---|---|
| C0040975 | UMLSCUI |
| CHEBI:27919 | CHEBI |
| CHEMBL502384 | ChEMBL_ID |
| DB14031 | DRUGBANK_ID |
| 5799 | PUBCHEM_CID |
| 002636 | NDDF |
| 20887007 | SNOMEDCT_US |
| D014265 | MESH_DESCRIPTOR_UI |
| 329 | INN_ID |
| F7IY6HZG9D | UNII |
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