CHEMBL4239987


SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(C#Cc4csc(C)n4)c3)nn2)cc1)C1CCc2c(O)cccc2C1
InChIKey FFSGPPYSYVXBKP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 20
Molecular weight (Da) 802.4

Drug properties

Molecular type Small molecule
Endogenous/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 6.53 6.69 6.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
mGlu5 GRM5 Human Metabotropic glutamate C pIC50 5.8 5.8 5.8 ChEMBL
D2 DRD2 Human Dopamine A pEC50 8.12 8.12 8.12 ChEMBL