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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2186 | 3819-00-9 |
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| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,INSR,ITK,JAK1,JAK2,JAK3,KIT,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 60 | |||
| kinase-selectivity-class | AXL,EIF2AK3,EPHB4,MAP2K6,STK33,TEK | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Feb. 3, 1969 | FDA |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.31 | Basic |
| pKa2 | 1.82 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | Enzyme | IC50 | 5.66 | CHEMBL |
| ID | Source |
|---|---|
| 4018910 | VUID |
| N0000147203 | NUI |
| D02679 | KEGG_DRUG |
| 4018910 | VANDF |
| C0031954 | UMLSCUI |
| CHEBI:92293 | CHEBI |
| CHEMBL1584 | ChEMBL_ID |
| C067601 | MESH_SUPPLEMENTAL_RECORD_UI |
| 19675 | PUBCHEM_CID |
| 1014 | INN_ID |
| KL6248WNW4 | UNII |
| 8338 | RXNORM |
| 001525 | NDDF |
| 70001008 | SNOMEDCT_US |
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