CHEMBL89734


SMILES COc1ccccc1C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1
InChIKey IGGDYDYGUOVJQB-YTTGMZPUSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 583.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
BB1 NMBR Human Bombesin A pKi 8.47 8.47 8.47 ChEMBL
BB2 GRPR Human Bombesin A pKi 6.39 6.39 6.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database