Molecule Details
| InChIKey | GIZYIOOBBUHOBS-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-(6-Cyano-3-pyridylcarbonyl)-5',8'-difluorospiro(piperidine-4,2'(1'H)-quinazoline)-4'-amine |
| Canonical SMILES | N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.83 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07405 |
|---|---|
| Drug Name | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50124535 CHEMBL447183 ChemSpider: 8061922 PDB: B14 PubChem:9886249 PubChem:99443876 ZINC: ZINC000001489460
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35228 | NOS2 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 7.0 | IC50 | ChEMBL;BindingDB |
| P29475 | NOS1 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 PF00595 | 6.1 | IC50 | ChEMBL;BindingDB |