Molecule Details
| InChIKey | VYKCLMALANGCDF-STQMWFEESA-N |
|---|---|
| Compound Name | Istisociclib |
| Canonical SMILES | CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.98 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21703 |
|---|---|
| Drug Name | Istisociclib |
| CAS Number | 2416873-83-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Istisociclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Istisociclib is a cyclin dependant kinase inhibitor. Istisociclib is under investigation in clinical trial NCT04718675 (A Study of KB-0742 in Participants With Relapsed or Refractory Solid Tumors In... |
Cross-references: BindingDB: 50593922 CHEMBL5199065
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.2 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q14004 | CDK13 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.4 | IC50 | ChEMBL |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |