CHEMBL3934661


SMILES CN1CCN(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIKey NLHRMBTYEDTOKC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 343.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 5IU8

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKd 6.41 7.06 7.74 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.51 7.51 7.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database