Molecule Details
| InChIKey | QYJLBHRAPDJOSO-NVXWUHKLSA-N |
|---|---|
| Compound Name | Atirmociclib |
| Canonical SMILES | CC(C)n1c(C(C)(C)O)nc2c(F)cc(-c3nc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21733 |
|---|---|
| Drug Name | Atirmociclib |
| CAS Number | 2380321-51-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Atirmociclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Atirmociclib is a cyclin dependant kinase inhibitor. Atirmociclib is under investigation in clinical trial NCT06760637 (Study of PF-07220060 With Letrozole in Adults With HR-positive HER2-negative B... |
Cross-references: BindingDB: 726690 CHEMBL5187755 PDB: A1AZ4
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 9.2 | Ki | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 9.2 | Ki | ChEMBL |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 7.9 | Ki | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.9 | Ki | ChEMBL;BindingDB |