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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 5130 | 27025-41-8 |
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None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT1,FLT3,GRK2,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 62 | |||
| kinase-selectivity-class | ACVR2B,AXL,CDK9,GRK2,MAP2K6,MAPK7,PIK3CG,TEK,TGFBR1 | 9 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
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None
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| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.67 | acidic |
| pKa2 | 2.27 | acidic |
| pKa3 | 3.26 | acidic |
| pKa4 | 3.86 | acidic |
| pKa5 | 11.86 | acidic |
| pKa6 | 12.46 | acidic |
| pKa7 | 13.72 | acidic |
| pKa8 | 9.96 | Basic |
| pKa9 | 9.36 | Basic |
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None
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| ID | Source |
|---|---|
| CHEBI:17858 | CHEBI |
| D00031 | KEGG_DRUG |
| CHEMBL1372 | ChEMBL_ID |
| 6835 | IUPHAR_LIGAND_ID |
| DB03310 | DRUGBANK_ID |
| 25953 | RXNORM |
| 4789 | MMSL |
| 005967 | NDDF |
| C0061516 | UMLSCUI |
| GDS | PDB_CHEM_ID |
| 6698 | INN_ID |
| 65359 | PUBCHEM_CID |
| ULW86O013H | UNII |
| D019803 | MESH_DESCRIPTOR_UI |
| ULW86O013H | INXIGHT DRUGS |
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