Molecule Details
| InChIKey | IJDQETGUEUJVTB-HNNXBMFYSA-N |
|---|---|
| Compound Name | Ro-3201195 |
| Canonical SMILES | Nc1c(C(=O)c2cccc(OC[C@@H](O)CO)c2)cnn1-c1ccc(F)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08424 |
|---|---|
| Drug Name | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 15754 ChEBI: 45116 CHEMBL203567 ChemSpider: 4484325 PDB: PQB PubChem:5327067 PubChem:99444895
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 7.3 | Kd | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.2 | Kd | ChEMBL |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.2 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q16539 | MAPK14 | Mitogen-activated protein kinase 14 | inhibitor | targets |