Molecule Details
| InChIKey | BMOCFBZBVQDGBM-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-(Trifluoromethyl)-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5(10),6,8,11,16,18,20,22(27)-nonaene-13,15-dione |
| Canonical SMILES | O=C1NC(=O)c2c1c1c3ccc(C(F)(F)F)cc3[nH]c1c1c2c2cccc3c2n1CCNC3 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.89 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 7.2 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.7 | pIC50 | TTD_MultiTarget |