Molecule Details
| InChIKey | YMUYGRBBEDYUOP-HXUWFJFHSA-N |
|---|---|
| Compound Name | (S)-N-(1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-YL)-1H-pyrrole-2-carboxamide |
| Canonical SMILES | O=C(N[C@H](CO)c1ccc(F)c(Cl)c1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07264 |
|---|---|
| Drug Name | (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 15645 CHEMBL387385 ChemSpider: 23280577 PDB: 82A PubChem:16115004 PubChem:99443735 ZINC: ZINC000020149028
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 8.7 | Ki | ChEMBL;BindingDB |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P22612 | PRKACG | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.1 | Ki | ChEMBL |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.1 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P28482 | MAPK1 | Mitogen-activated protein kinase 1 | binder | targets |