derivative 17 [Nakahata et al., 2018]


SMILES OCCNC(=O)c1c(C)nn(c1CO)c1cccc2c1sc(c2)Cc1cccc(c1)C(F)(F)F
InChIKey VJMRKWPMFQGIPI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 489.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8HMP 6LI0

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
GPR52 GPR52 Human A orphans A pEC50 7.68 7.68 7.68 Guide to Pharmacology
GPR52 GPR52 Human A orphans A pEC50 7.68 7.68 7.68 ChEMBL