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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3549 | 98-50-0 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 55 | |||
| kinase-selectivity-class | AURKA,AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,JAK2,MAP2K6,MAP3K14,MAPK7,MAPK8,PRKDC,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 22 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.22 | acidic |
| pKa2 | 8.78 | acidic |
| pKa3 | 1.94 | Basic |
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| ID | Source |
|---|---|
| D02988 | KEGG_DRUG |
| C0003814 | UMLSCUI |
| CHEBI:49477 | CHEBI |
| CHEMBL351769 | ChEMBL_ID |
| D001147 | MESH_DESCRIPTOR_UI |
| DB03006 | DRUGBANK_ID |
| 2857 | INN_ID |
| UDX9AKS7GM | UNII |
| 7389 | PUBCHEM_CID |
| ASR | PDB_CHEM_ID |
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