2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline — MultiTargetDB

Molecule Details

InChIKey	`AZEXWHKOMMASPA-UHFFFAOYSA-N`
Compound Name	2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
Canonical SMILES	`Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Cross-Family
Avg pChEMBL	7.79
Source	ChEMBL;BindingDB

2D Structure

2D structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB08387
Drug Name	Mardepodect
CAS Number	898562-94-2
Groups	investigational
ATC Codes	nan
Description	nan

Categories: Heterocyclic Compounds, Fused-Ring

Cross-references: BindingDB: 31592 CHEMBL562318 ChemSpider: 9756702 PDB: PF9 PubChem:11581936 PubChem:99444858 Wikipedia: Mardepodect ZINC: ZINC000035859742

Target Activities (2)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q9Y233	PDE10A	Homo sapiens	Human	PF01590 PF00233	8.9	IC50	ChEMBL;BindingDB
P17931	LGALS3	Homo sapiens	Human	PF00337	6.7	Kd	ChEMBL;BindingDB

DrugBank Target Actions (1)

Target	Gene	Target Name	Action	Type
Q9Y233	PDE10A	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	inhibitor	targets