Molecule Details
| InChIKey | MKSQRGQNPZBVPP-WUJWULDRSA-N |
|---|---|
| Compound Name | 6-(4-carbamoylcyclohexa-1,5-dien-1-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide |
| Canonical SMILES | NC(=O)c1cc(C2=CCC(C(N)=O)C=C2)cc2c(N[C@H]3CCCNC3)ncnc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.44 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 6.1 | IC50 | ChEMBL;BindingDB |