IN-3


SMILES Cc1cc(C)cc(c1)c1[nH]c2c(c1[C@@H](CNCCc1ccncc1)C)cc(cc2)C(C(=O)N1CC2CCC1CC2)(C)C
InChIKey GGVFLXSCFPVLMS-WPCLDFDBSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 562.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pIC50 9.22 9.22 9.22 Guide to Pharmacology
GnRH1 GNRHR Rat Gonadotrophin-releasing hormone A pIC50 8.77 8.77 8.77 Guide to Pharmacology
GnRH1 GNRHR Rat Gonadotrophin-releasing hormone A pIC50 8.77 8.77 8.77 ChEMBL
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pIC50 8.14 8.68 9.22 ChEMBL