3-chloro-5-(2-chloro-5-{1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy}phenoxy)benzonitrile — MultiTargetDB

Molecule Details

InChIKey	`SVMHTBVIPYVDIL-UHFFFAOYSA-N`
Compound Name	3-chloro-5-(2-chloro-5-{1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy}phenoxy)benzonitrile
Canonical SMILES	`N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]c4ncccc34)ccc2Cl)c1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	9.6
Source	BindingDB;ChEMBL

2D Structure

2D structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB08459
Drug Name	3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile
CAS Number	nan
Groups	experimental
ATC Codes	nan
Description	nan

Cross-references: CHEMBL491019 ChemSpider: 13173753 PDB: R8D PubChem:16045340 PubChem:99444930 ZINC: ZINC000034891664

Target Activities (2)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q72547	pol	Human immunodeficiency virus type 1	Pathogen	PF00075 PF00078 PF06815 PF06817	9.7	IC50	ChEMBL
Q9WKE8	reverse transcriptase	Human immunodeficiency virus type 1	Pathogen	PF00078	9.6	IC50	BindingDB

DrugBank Target Actions (1)

Target	Gene	Target Name	Action	Type
P04585	gag-pol	Gag-Pol polyprotein	binder	targets