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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 628 | 4940-39-0 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -2.038 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 8.630 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.959 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.589 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 15.520 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 34.470 | % | High | 1 |
| herg | hERG pIC50 | 4.672 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.589 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.365 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 8.240 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK1,NTRK2,PAK4,PDK1,PDK2,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PLK1,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2 | 67 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,BRAF,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,MAP2K3,MAP2K6,MAPK7,PIK3CB,PIK3CD,PRKDC,SIK2,STK33,TEK,TGFBR1,TTK | 21 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.348 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 1.871 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 41.670 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.109 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 12.550 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 2.042 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 93.640 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 6.500 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 831.764 | uM | High | 1 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.5 | acidic |
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| ID | Source |
|---|---|
| D07695 | KEGG_DRUG |
| C0304535 | UMLSCUI |
| CHEBI:113552 | CHEBI |
| CHEMBL83628 | ChEMBL_ID |
| 2741 | PUBCHEM_CID |
| C031334 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2786 | INN_ID |
| FY38S0790W | UNII |
| 004168 | NDDF |
| 29783009 | SNOMEDCT_US |
| AO7 | PDB_CHEM_ID |
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