MK-5046


SMILES FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F
InChIKey UJINBEQCDMOAHM-SFHVURJKSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 444.1

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
BB3 BRS3 Human Bombesin A pKi 7.74 8.09 8.43 Guide to Pharmacology
BB3 BRS3 Mouse Bombesin A pKi 8.8 8.8 8.8 Guide to Pharmacology
BB3 BRS3 Mouse Bombesin A pKi 8.8 8.8 8.8 ChEMBL
BB3 BRS3 Human Bombesin A pKi 8.43 8.43 8.43 ChEMBL
BB3 BRS3 Rat Bombesin A pKi 9.22 9.22 9.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
BB1 NMBR Human Bombesin A pIC50 5.0 5.0 5.0 Guide to Pharmacology
BB2 GRPR Human Bombesin A pIC50 5.0 5.0 5.0 Guide to Pharmacology
BB3 BRS3 Human Bombesin A pIC50 6.8 7.19 7.57 Guide to Pharmacology
BB3 BRS3 Human Bombesin A pEC50 7.6 7.6 7.6 Guide to Pharmacology
BB3 BRS3 Mouse Bombesin A pEC50 7.68 7.68 7.68 ChEMBL
BB3 BRS3 Mouse Bombesin A pIC50 8.27 8.27 8.27 ChEMBL
BB3 BRS3 Human Bombesin A pEC50 7.85 7.85 7.85 ChEMBL
BB3 BRS3 Human Bombesin A pIC50 7.57 7.57 7.57 ChEMBL
BB3 BRS3 Rat Bombesin A pEC50 8.66 8.66 8.66 ChEMBL
BB3 BRS3 Rat Bombesin A pIC50 8.92 8.92 8.92 ChEMBL