Molecule Details
| InChIKey | SXNJFOWDRLKDSF-STROYTFGSA-N |
|---|---|
| Canonical SMILES | CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.24 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12062 |
|---|---|
| Drug Name | Volasertib |
| CAS Number | 755038-65-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Volasertib has been used in trials studying the treatment of Leukemia, Neoplasms, Leukemia, Myeloid, Acute, Myelodysplastic Syndromes, and Leukemia, Monocytic, Acute, among others. |
Categories: Antineoplastic Agents Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50402023 CHEMBL1233528 ChemSpider: 26327706 PDB: IBI PubChem:10461508 PubChem:347828371 Wikipedia: Volasertib
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q9NYY3 | PLK2 | Homo sapiens | Human | PF00069 PF00659 | 8.3 | IC50 | ChEMBL |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 7.2 | IC50 | ChEMBL |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.0 | Kd | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.9 | Kd | ChEMBL;BindingDB |
| Q96RR4 | CAMKK2 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| O00764 | PDXK | Homo sapiens | Human | PF08543 | 6.5 | Kd | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.2 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P53350 | PLK1 | Serine/threonine-protein kinase PLK1 | inhibitor | targets |