CHEMBL3978233


SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)C(C)C)C(N)=O
InChIKey DCTUWJWPBYIYMK-KXOAHDAXSA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 17
Rotatable bonds 44
Molecular weight (Da) 1754.0

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 Rat Bombesin A pIC50 8.64 8.64 8.64 ChEMBL
BB2 GRPR Human Bombesin A pIC50 8.35 8.35 8.35 ChEMBL