CHEMBL3937413 [295058]



CHEMBL3937413


SMILES Nc1nc(NCCN2CCC(c3ccccc3)CC2)nc2nc(-c3ccco3)nn12
InChIKey WUOOFKSGLYZAKD-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 6
Log P 2.653
Molecular weight (Da) 404.2
Stereochemistry info unspecified

Database connections

Structure pdb 5IU7
Ligand site mutations A2A

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

CHEMBL3937413


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 5IU7
Ligand site mutations A2A

Compound is not listed as a drug.