CHEMBL267822


SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H]1CC2(CCCC2)C2CCC[C@](Cc3ccccc3)(NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)[C@@H]3CC(O)CN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N21)C(=O)O
InChIKey JCDYDSNMIMDUJL-OYXXEQSESA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 16
Rotatable bonds 32
Molecular weight (Da) 1331.7

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 Human Bradykinin A pKi 7.0 7.0 7.0 ChEMBL
B2 BKRB2 Human Bradykinin A pKd 5.6 5.6 5.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database