CHEMBL184061 [138422]



CHEMBL184061


SMILES Nc1nc(NCCN2CCN(c3ccc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12
InChIKey NJQVZARFMYPNOT-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 6
Log P 1.874
Molecular weight (Da) 441.2
Stereochemistry info unspecified

Database connections

Structure pdb 5IUB
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

CHEMBL184061


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 5IUB
Ligand site mutations A2A

Compound is not listed as a drug.