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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 376 | 78186-34-2 |
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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,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2 | 67 | |||
| kinase-selectivity-class | ACVR2B,AXL,EIF2AK3,GRK2,MAPK7,STK33 | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000903 | Antibiotics, Antineoplastic |
| MeSH PA | D000970 | Antineoplastic Agents |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.53 | Basic |
| pKa2 | 8.92 | Basic |
| pKa3 | 5.15 | Basic |
| pKa4 | 4.55 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| NAD(P)H dehydrogenase [quinone] 1 | Enzyme | IC50 | 4.60 | CHEMBL |
| ID | Source |
|---|---|
| 71439-68-4 | SECONDARY_CAS_RN |
| C0053776 | UMLSCUI |
| CHEBI:88337 | CHEBI |
| CHEMBL25336 | ChEMBL_ID |
| CHEMBL3989424 | ChEMBL_ID |
| DB17247 | DRUGBANK_ID |
| C031404 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5351322 | PUBCHEM_CID |
| 5131 | INN_ID |
| 39C34M111K | UNII |
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