CHEMBL3547017


SMILES CCCN(CCCNc1nc(Oc2ccc(CCNc3nc(N)n4nc(-c5ccco5)nc4n3)cc2)nc(N2CCOCC2)n1)CCc1cccc2c1CC(=O)N2
InChIKey FTMRVTRKAANZIN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 4
Rotatable bonds 18
Molecular weight (Da) 774.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.92 6.92 6.92 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.51 6.51 6.51 ChEMBL