NBI-42902


SMILES COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)N)c(=O)n(c1C)Cc1c(F)cccc1F
InChIKey CJUWBZDJMYYRDG-QFIPXVFZSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 495.2

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
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pKi 9.0 9.23 9.5 Guide to Pharmacology
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pKd 9.7 9.7 9.7 Guide to Pharmacology
GnRH1 GNRHR Rat Gonadotrophin-releasing hormone A pKi 5.21 5.42 5.52 ChEMBL
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pKi 8.46 9.14 9.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pIC50 5.28 8.34 9.3 ChEMBL