CHEMBL2112698


SMILES NC(N)=NCCC[C@H](NC(=O)CN1C(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cccs2)NC(=O)CNC(=O)[C@@H]2CC(O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)CSc2ccccc21)C(=O)O
InChIKey MXJQZOZFDCAXRY-SVTBVOTRSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 16
Rotatable bonds 31
Molecular weight (Da) 1227.5

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
B2 BKRB2 Rat Bradykinin A pKi 8.22 8.22 8.22 ChEMBL
B2 BKRB2 Human Bradykinin A pKi 9.15 9.15 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database