Molecule Details
| InChIKey | QIEKHLDZKRQLLN-FOIQADDNSA-N |
|---|---|
| Compound Name | Ebvaciclib |
| Canonical SMILES | C[C@@]1(O)CCC[C@H]1n1c(=O)c(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.06 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB18967 |
|---|---|
| Drug Name | Ebvaciclib |
| CAS Number | 2185857-97-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ebvaciclib is under investigation in clinical trial NCT03519178 (A Study of PF-06873600 in People With Cancer). |
Cross-references: BindingDB: 370121 CHEMBL4446357 ChemSpider: 71061508 PDB: WG1
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 10.1 | Ki | ChEMBL;BindingDB |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 10.1 | Ki | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 9.9 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 9.9 | Ki | ChEMBL;BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.9 | Ki | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 8.9 | Ki | ChEMBL |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 8.3 | IC50 | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 7.7 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL |