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 6LI0 8HMP

Sankey plot

Compound is not listed as a drug.

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