Molecule Details
| InChIKey | DOTGPNHGTYJDEP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Prexasertib |
| Canonical SMILES | COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12008 |
|---|---|
| Drug Name | Prexasertib |
| CAS Number | 1234015-52-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Prexasertib has been used in trials studying the treatment and basic science of mCRPC, Leukemia, Neoplasm, breast cancer, and Ovarian Cancer, among others. |
Categories: Enzyme Inhibitors Protein Kinase Inhibitors
Cross-references: BindingDB: 50524300 CHEMBL3544911 ChemSpider: 32738771 PubChem:46700756 PubChem:347828326 Wikipedia: Prexasertib ZINC: ZINC000095837013
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 9.3 | IC50 | ChEMBL;BindingDB |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| O60285 | NUAK1 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P54619 | PRKAG1 | Homo sapiens | Human | PF00571 | 7.0 | IC50 | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 7.0 | IC50 | ChEMBL |
| Q9Y478 | PRKAB1 | Homo sapiens | Human | PF16561 PF04739 | 7.0 | IC50 | ChEMBL;BindingDB |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 6.4 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.4 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O14757 | CHEK1 | Serine/threonine-protein kinase Chk1 | inhibitor | targets |