CHEMBL5268547


SMILES N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@]12Cc1ccccc1CN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C2=O
InChIKey BHXKXFKXYLMONI-GWWKZWJGSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 18
Rotatable bonds 30
Molecular weight (Da) 1249.6

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
B2 BKRB2 Human Bradykinin A pKi 8.5 8.5 8.5 ChEMBL
B2 BKRB2 Human Bradykinin A pKd 5.7 5.7 5.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database