Molecule Details
| InChIKey | YZCUMZWULWOUMD-NDEPHWFRSA-N |
|---|---|
| Compound Name | Enitociclib |
| Canonical SMILES | COc1cc(F)ccc1-c1cc(Nc2cc(C[S@@](C)(=N)=O)ccn2)ncc1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.4 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17297 |
|---|---|
| Drug Name | Enitociclib |
| CAS Number | 1610408-97-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Cross-references: CHEMBL4762845 ChemSpider: 81367557
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.4 | IC50 | ChEMBL;BindingDB |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 6.4 | IC50 | ChEMBL |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P50750 | CDK9 | Cyclin-dependent kinase 9 | inhibitor | targets |