6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline — MultiTargetDB

Molecule Details

InChIKey	`JRWCBEOAFGHNNU-UHFFFAOYSA-N`
Compound Name	6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
Canonical SMILES	`Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	7.17
Source	ChEMBL;BindingDB

2D Structure

2D structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB13113
Drug Name	JNJ-38877605
CAS Number	943540-75-8
Groups	investigational
ATC Codes	nan
Description	JNJ-38877605 has been used in trials studying the treatment of Neoplasms.

Cross-references: BindingDB: 163243 ChEBI: 91417 CHEMBL2133806 ChemSpider: 21437051 PubChem:46911863 PubChem:347829236 ZINC: ZINC000043170515

Target Activities (3)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P08581	MET	Homo sapiens	Human	PF07714 PF01437 PF01403 PF01833	8.5	IC50	ChEMBL;BindingDB
Q8TBX8	PIP4K2C	Homo sapiens	Human	PF01504	6.5	Kd	ChEMBL
P16083	NQO2	Homo sapiens	Human	PF02525	6.5	Kd	ChEMBL

DrugBank Target Actions (1)

Target	Gene	Target Name	Action	Type
P08581	MET	Hepatocyte growth factor receptor	inhibitor	targets