Molecule Details
| InChIKey | MOWXJLUYGFNTAL-DEOSSOPVSA-N |
|---|---|
| Compound Name | Peposertib |
| Canonical SMILES | COc1ccc([C@@H](O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.23 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16252 |
|---|---|
| Drug Name | Nedisertib |
| CAS Number | 1637542-33-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Nedisertib is under investigation in clinical trial NCT03770689 (Study of M3814 in Combination With Capecitabine and Radiotherapy in Rectal Cancer). |
Categories: Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Protein Kinase Inhibitors
Cross-references: CHEMBL4297629 ChemSpider: 67896524 PDB: 1IX
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 9.4 | IC50 | ChEMBL |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.9 | IC50 | ChEMBL |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.3 | IC50 | ChEMBL |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.1 | IC50 | ChEMBL |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 6.4 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P78527 | PRKDC | DNA-dependent protein kinase catalytic subunit | inhibitor | targets |