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| Stem definition | Drug id | CAS RN |
|---|---|---|
| hepatoprotectants, di(propan-2-yl- 2-(2H-1,3-dithiol-2-ylidene)propanedioate and analogues | 1823 | 130112-42-4 |
| Molecule | Description |
|---|---|
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 48 | |||
| kinase-selectivity-class | ACVR2A,AURKB,AXL,BRAF,CAMK2D,CDK16,CDK4,CDK9,CLK4,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FGFR1,GRK2,GSK3B,HIPK2,IRAK1,JAK2,MAP2K6,MAP3K14,MAP3K2,MAP3K7,MAPK12,MAPK7,MARK4,PDK4,PIM3,PRKAA1,PRKDC,SIK2,STK33,SYK,TEK,TTK | 36 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.29 | acidic |
| pKa2 | 3.68 | Basic |
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| ID | Source |
|---|---|
| C2825468 | UMLSCUI |
| CHEBI:135409 | CHEBI |
| CHEMBL3301677 | ChEMBL_ID |
| 148185 | PUBCHEM_CID |
| 7727 | INN_ID |
| 0789652QUL | UNII |
| 0789652QUL | INXIGHT DRUGS |
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