Molecule Details
| InChIKey | QLUYMIVVAYRECT-OCCSQVGLSA-N |
|---|---|
| Compound Name | 2-(2-chlorophenyl)-5,7-dihydroxy-8-((2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)chromen-4-one |
| Canonical SMILES | CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q86XP3 | DDX42 | Homo sapiens | Human | PF00270 PF00271 | 8.7 | Kd | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 7.7 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 7.7 | Kd | ChEMBL |
| O76039 | CDKL5 | Homo sapiens | Human | PF00069 | 7.6 | Kd | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.2 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.1 | IC50 | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.7 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q9UPZ9 | CILK1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL |