Explore drug information in your own words.
Type a question in the search bar above to get started. Each question is answered independently.
Select a question to fill the search bar, then submit it or edit it first.
AI can make mistakes. Verify answers against the original sources before relying on them.
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 172 | 695-34-1 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.617 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.158 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 45.082 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.871 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 82.450 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 84.870 | % | High | 1 |
| herg | hERG pIC50 | 4.393 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.724 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.954 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 60.490 | % | High | 1 |
| kinase-safety-class | ACVR1B,ACVR2A,ACVR2B,ALK,AURKA,AURKB,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK16,CDK19,CDK2,CDK5,CDK7,CDK9,CHEK1,CLK4,CSF1R,DDR1,DYRK1A,DYRK1B,EGFR,EIF2AK3,ERBB2,FLT3,GRK1,GRK2,GSK3B,IRAK1,IRAK3,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK12,MAPK7,MAPK9,MARK4,MELK,MET,MTOR,NTRK1,NTRK2,PDK2,PDK4,PIK3CD,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TNIK,TTK,ULK1,ULK2 | 70 | |||
| kinase-selectivity-class | AXL,ERBB2 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.444 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 5.546 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 89.760 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.470 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 84.600 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 2.649 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 94.520 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 78.250 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 224.388 | uM | High | 1 |
None
None
None
None
None
None
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.1 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | Enzyme | INHIBITOR | IC50 | 7.40 | IUPHAR |
| ID | Source |
|---|---|
| BVF | PDB_CHEM_ID |
| 1533 | PUBCHEM_CID |
| C015672 | MESH_SUPPLEMENTAL_RECORD_UI |
| C0045846 | UMLSCUI |
| CHEBI:41210 | CHEBI |
| 5111 | IUPHAR_LIGAND_ID |
| 394N1Z644H | UNII |
None