CHEMBL4239573


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

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 1
Rotatable bonds 29
Molecular weight (Da) 928.4

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
D2 DRD2 Human Dopamine A pKi 6.45 6.59 6.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
mGlu5 GRM5 Human Metabotropic glutamate C pIC50 6.05 6.05 6.05 ChEMBL