Molecule Details
| InChIKey | YPJRHEKCFKOVRT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Lerociclib |
| Canonical SMILES | CC(C)N1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.36 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16218 |
|---|---|
| Drug Name | Lerociclib |
| CAS Number | 1628256-23-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Lerociclib is under investigation in clinical trial NCT02983071 (G1T38, a CDK 4/6 Inhibitor, in Combination With Fulvestrant in Hormone Receptor-positive, Her2-negative Locally Advanced or Metastatic Breast Cancer). |
Cross-references: BindingDB: 253941 CHEMBL3904602 ChemSpider: 68007293
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q6ZWH5 | NEK10 | Homo sapiens | Human | PF00069 | 9.7 | Kd | ChEMBL;BindingDB |
| Q9H093 | NUAK2 | Homo sapiens | Human | PF00069 | 9.2 | Kd | ChEMBL;BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 9.0 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 9.0 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 8.4 | Kd | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 8.3 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q8IYT8 | ULK2 | Homo sapiens | Human | PF12063 PF21127 PF00069 | 8.3 | Kd | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.9 | Kd | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.5 | IC50 | ChEMBL;BindingDB |