Molecule Details
| InChIKey | SRJNRAQUSAVENA-GSHUGGBRSA-N |
|---|---|
| Canonical SMILES | Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(F)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.09 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13126 |
|---|---|
| Drug Name | Varegacestat |
| CAS Number | 1584647-27-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | BMS-986115 has been used in trials studying the treatment of Various Advanced Cancer. |
Categories: Benzazepines Enzyme Inhibitors Gamma Secretase Inhibitors and Modulators Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 209870 CHEMBL3911164 ChemSpider: 34992153 PubChem:73388393 PubChem:347829249
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P46531 | NOTCH1 | Homo sapiens | Human | PF00023 PF12796 PF00008 PF07645 PF12661 PF06816 PF07684 PF00066 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q9UM47 | NOTCH3 | Homo sapiens | Human | PF00023 PF12796 PF00008 PF07645 PF12661 PF06816 PF07684 PF00066 | 8.1 | IC50 | ChEMBL;BindingDB |