Molecule Details
| InChIKey | VBCGLTJYUOQZMW-MEMLXQNLSA-N |
|---|---|
| Canonical SMILES | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(-c3cccc(CN)c3)nc3ccccc23)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00763 | ACACB | Homo sapiens | Human | PF08326 PF21385 PF02785 PF00289 PF00364 PF01039 PF02786 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q13085 | ACACA | Homo sapiens | Human | PF08326 PF21385 PF02785 PF00289 PF00364 PF01039 PF02786 | 6.6 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL;BindingDB |