1-(6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl)-N-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine — MultiTargetDB

Molecule Details

InChIKey	`CQOJHAJWCDJEAT-UHFFFAOYSA-N`
Compound Name	1-(6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl)-N-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine
Canonical SMILES	`CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	7.6
Source	ChEMBL;BindingDB

2D Structure

2D structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB16068
Drug Name	Navacaprant
CAS Number	2244614-14-8
Groups	investigational
ATC Codes	nan
Description	BTRX-335140 is under investigation in clinical trial NCT04221230 (Study in Major Depressive Disorder With BTRX-335140 vs Placebo).

Categories: Heterocyclic Compounds, Fused-Ring Oxazoles

Cross-references: BindingDB: 50531908 CHEMBL4592045 ChemSpider: 78316413 Wikipedia: BTRX-335140

Target Activities (3)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P41145	OPRK1	Homo sapiens	Human	PF00001	9.0	IC50	ChEMBL;BindingDB
Q12809	KCNH2	Homo sapiens	Human	PF00027 PF00520 PF13426	7.5	IC50	ChEMBL;BindingDB
P35372	OPRM1	Homo sapiens	Human	PF00001	6.3	IC50	ChEMBL;BindingDB

DrugBank Target Actions (1)

Target	Gene	Target Name	Action	Type
P41145	OPRK1	Kappa-type opioid receptor	antagonist	targets