Explore drug information in your own words.
Type a question in the search bar above to get started. Each question is answered independently.
AI can make mistakes. Verify answers against the original sources before relying on them.
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3661 | 1222-57-7 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.782 | Moderate | 0.68 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.327 | Moderate | 0.68 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 64.565 | 10^-6 cm/s | Moderate | 0.68 |
| dh-clint | Dog hepatocyte intrinsic clearance | 22.542 | uL/min/10^6 cells | Moderate | 0.68 |
| dppb | Dog plasma protein binding (% unbound) | 31.870 | % | Moderate | 0.68 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 40.560 | % | Moderate | 0.68 |
| herg | hERG pIC50 | 4.754 | pIC50 | Moderate | 0.68 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.846 | uL/min/10^6 cells | Moderate | 0.68 |
| hlm-clint | Human liver microsomal intrinsic clearance | 19.055 | uL/min/mg protein | Moderate | 0.68 |
| hppb | Human plasma protein binding (% unbound) | 10.490 | % | Moderate | 0.68 |
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,MAP3K1,MAP3K10,MAP3K21,MAP4K1,MAPK10,MAPK7,MARK4,MTOR,PDK1,PDK2,PDK4,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK,ULK1 | 39 | |||
| kinase-selectivity-class | ACVR2A,BRAF,DYRK1B | 3 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 3.155 | Moderate | 0.68 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 18.072 | Moderate | 0.68 | |
| mppb | Mouse plasma protein binding (% unbound) | 24.530 | Moderate | 0.68 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 3.327 | Moderate | 0.68 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 27.820 | % | Moderate | 0.68 |
| rh-clint | Rat hepatocyte intrinsic clearance | 10.304 | uL/min/10^6 cells | Moderate | 0.68 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 86.780 | % | Moderate | 0.68 |
| rppb | Rat plasma protein binding (% unbound) | 12.810 | % | Moderate | 0.68 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 80.168 | uM | Moderate | 0.68 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | A02BX10 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR ACID RELATED DISORDERS DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD) Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD) |
| CHEBI has role | CHEBI:49201 | anti-ulcer drug |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.75 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | Enzyme | IC50 | 6.11 | CHEMBL |
| ID | Source |
|---|---|
| D07075 | KEGG_DRUG |
| C0650163 | UMLSCUI |
| CHEBI:135125 | CHEBI |
| CHEMBL2105534 | ChEMBL_ID |
| DB13593 | DRUGBANK_ID |
| C073260 | MESH_SUPPLEMENTAL_RECORD_UI |
| 14652 | PUBCHEM_CID |
| 3089 | INN_ID |
| YCF001N8QB | UNII |
None