NGD 94-1


SMILES c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1
InChIKey OTVQCHUIPJYASM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 320.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D4

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
GPBA GPBAR Human Bile acid A pEC50 9.42 9.42 9.42 Guide to Pharmacology
GPBA GPBAR Mouse Bile acid A pEC50 7.52 7.52 7.52 Guide to Pharmacology