CHEMBL4242453


SMILES COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc2cncc(C#Cc3csc(C)n3)c2)nn1
InChIKey HWAXOXRRJFJRSF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 1
Rotatable bonds 28
Molecular weight (Da) 919.5

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
D2 DRD2 Human Dopamine A pKi 6.52 6.73 6.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
mGlu5 GRM5 Human Metabotropic glutamate C pIC50 6.35 6.35 6.35 ChEMBL