CHEMBL441211


SMILES CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)[S+]([O-])C(C)C)cc1
InChIKey KEFJIAHSOLWSII-RUFKGVBESA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 14
Rotatable bonds 40
Molecular weight (Da) 1565.7

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 Rat Gonadotrophin-releasing hormone A pIC50 8.49 8.49 8.49 ChEMBL
GnRH1 GNRHR Human Gonadotrophin-releasing hormone A pIC50 8.92 8.92 8.92 ChEMBL