CHEMBL1793829


SMILES C=C([C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)CC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21
InChIKey FZFMUAZXNFWNCL-NHHPSZOVSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 13
Rotatable bonds 26
Molecular weight (Da) 1144.6

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
B1 BKRB1 Rat Bradykinin A pKd 6.8 6.8 6.8 ChEMBL
B2 BKRB2 Guinea pig Bradykinin A pKd 5.7 5.7 5.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database