PD 176252


SMILES COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C
InChIKey NNFUWNLENRUDHR-HKBQPEDESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 584.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7W41

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
BB2 GRPR Human Bombesin A pKi 9.0 9.0 9.0 Guide to Pharmacology
BB1 NMBR Human Bombesin A pKi 9.77 9.77 9.77 ChEMBL
BB2 GRPR Human Bombesin A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
BB1 NMBR Human Bombesin A pIC50 9.28 9.53 9.77 Guide to Pharmacology
BB2 GRPR Human Bombesin A pIC50 6.67 6.72 6.77 Guide to Pharmacology
BB1 NMBR Human Bombesin A pIC50 9.18 9.18 9.18 ChEMBL
BB2 GRPR Human Bombesin A pIC50 7.8 7.8 7.8 ChEMBL