Molecule Details
| InChIKey | POFVJRKJJBFPII-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ulecaciclib |
| Canonical SMILES | CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4sc(NC5CCCC5)nc4C)n3)nc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.2 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21595 |
|---|---|
| Drug Name | Ulecaciclib |
| CAS Number | 2075750-05-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Ulecaciclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Ulecaciclib is a cyclin dependant kinase inhibitor. Ulecaciclib has a monoisotopic molecular weight of 496.25 Da. |
Cross-references: BindingDB: 50501597 CHEMBL4067549
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.5 | Ki | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 8.5 | Ki | ChEMBL |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 7.8 | Ki | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.8 | Ki | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.2 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.2 | Ki | ChEMBL;BindingDB |