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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3402 | 65-86-1 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK12,MAPK7,MAPK9,MARK4,MTOR,NTRK1,NTRK2,PDK1,PDK2,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,PTK2,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 | 60 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,BRAF,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,MAP2K3,MAP2K6,MAP3K14,MAPK7,PIK3CB,PRKDC,SIK2,STK33,TEK,TTK | 20 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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None
None
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| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:25212 | metabolite |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
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None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.48 | acidic |
| pKa2 | 9.11 | acidic |
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| ID | Source |
|---|---|
| N0000167335 | NUI |
| D00055 | KEGG_DRUG |
| C0029300 | UMLSCUI |
| CHEBI:16742 | CHEBI |
| ORO | PDB_CHEM_ID |
| CHEMBL1235017 | ChEMBL_ID |
| DB02262 | DRUGBANK_ID |
| D009963 | MESH_DESCRIPTOR_UI |
| 967 | PUBCHEM_CID |
| 3502 | INN_ID |
| 4690 | IUPHAR_LIGAND_ID |
| 61H4T033E5 | UNII |
| 7712 | RXNORM |
| 006148 | NDDF |
| 2254005 | SNOMEDCT_US |
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