bantag-1


SMILES CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C
InChIKey DAWSYEXBFLQUER-SLMIJXFKSA-P

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 7
Rotatable bonds 23
Molecular weight (Da) 894.6

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
BB1 NMBR Human Bombesin A pIC50 5.0 5.24 5.48 Guide to Pharmacology
BB2 GRPR Human Bombesin A pIC50 5.0 5.18 5.36 Guide to Pharmacology
BB3 BRS3 Human Bombesin A pIC50 8.6 8.65 8.7 Guide to Pharmacology
BB3 BRS3 Mouse Bombesin A pIC50 8.09 8.09 8.09 Guide to Pharmacology
BB3 BRS3 Rat Bombesin A pIC50 8.77 8.77 8.77 Guide to Pharmacology