Molecule Details
| InChIKey | RPGZQOOZHIEPJW-HNNXBMFYSA-N |
|---|---|
| Compound Name | 3-[3-[[(2S)-2,3-dihydroxypropyl]amino]phenyl]-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione |
| Canonical SMILES | Cn1cc(C2=C(c3cccc(NC[C@H](O)CO)c3)C(=O)NC2=O)c2cc(F)ccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 18 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.34 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01772 |
|---|---|
| Drug Name | 3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50619017 CHEMBL1232189 ChemSpider: 395103 PDB: DFN PubChem:448238 PubChem:46504930 ZINC: ZINC000005932684
Target Activities (18)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 10.3 | Kd | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 8.8 | Kd | BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 8.0 | Kd | BindingDB |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 7.9 | Kd | BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 7.8 | Kd | BindingDB |
| Q8TD08 | MAPK15 | Homo sapiens | Human | PF00069 | 7.5 | Kd | BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.4 | Kd | BindingDB |
| Q00537 | CDK17 | Homo sapiens | Human | PF00069 | 7.2 | Kd | BindingDB |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 7.1 | Kd | BindingDB |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 7.1 | Kd | BindingDB |
| Q07002 | CDK18 | Homo sapiens | Human | PF00069 | 7.0 | Kd | BindingDB |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 7.0 | Kd | BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.8 | Kd | BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.6 | Kd | BindingDB |
| P49761 | CLK3 | Homo sapiens | Human | PF00069 | 6.5 | Kd | BindingDB |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.5 | Kd | BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.4 | IC50 | BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.4 | Kd | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P49841 | GSK3B | Glycogen synthase kinase-3 beta | binder | targets |