PD 168368


SMILES O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-]
InChIKey AFDXUTWMFMAQJO-PMERELPUSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 554.3

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
BB2 GRPR Human Bombesin A pKi 7.52 7.67 7.82 Guide to Pharmacology
BB1 NMBR Human Bombesin A pKi 9.82 9.82 9.82 ChEMBL
BB2 GRPR Human Bombesin A pKi 7.77 7.77 7.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
BB1 NMBR Human Bombesin A pIC50 9.29 9.45 9.6 Guide to Pharmacology
BB2 GRPR Human Bombesin A pIC50 5.76 5.84 5.93 Guide to Pharmacology
BB1 NMBR Rat Bombesin A pIC50 7.35 7.38 7.41 Guide to Pharmacology