Molecule Details
| InChIKey | ZICLKVKKMGHHDX-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1'-(2,2,2-Trifluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,4'-piperidine]-4-carboxamide |
| Canonical SMILES | NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCN(CC(F)(F)F)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.27 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| P24863 | CCNC | Homo sapiens | Human | PF16899 PF00134 | 7.5 | IC50 | ChEMBL |
| Q9BWU1 | CDK19 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q8TF76 | HASPIN | Homo sapiens | Human | PF12330 | 6.5 | IC50 | ChEMBL;BindingDB |