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| Stem definition | Drug id | CAS RN |
|---|---|---|
| analgesic anti-inflammatory | 2143 | 133-11-9 |
None
None
| 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,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 70 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,MAP2K3,MAP2K6,MAPK12,MAPK7,MAPK8,MARK4,SIK2,STK10,STK33,SYK,TEK,TTK,ULK1 | 22 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | PHARM RES ASSOC |
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None
None
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.59 | acidic |
| pKa2 | 1.89 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | Enzyme | IC50 | 5.73 | CHEMBL |
| ID | Source |
|---|---|
| D05460 | KEGG_DRUG |
| C0618089 | UMLSCUI |
| CHEBI:114203 | CHEBI |
| CHEMBL1200868 | ChEMBL_ID |
| 8609 | PUBCHEM_CID |
| DB06807 | DRUGBANK_ID |
| 37262003 | SNOMEDCT_US |
| 1844 | INN_ID |
| 52936SIP7V | UNII |
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