Molecule Details
| InChIKey | BIIVYFLTOXDAOV-TYJDENFWSA-N |
|---|---|
| Compound Name | 2-(2-Chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-chromen-4-one |
| Canonical SMILES | CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H](O)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.63 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.0 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.8 | pIC50 | TTD_MultiTarget |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.3 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.3 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.3 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | BindingDB |