CHEMBL3787767


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey JYUIJVBEWVFMMW-XBDBAUELSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 15
Rotatable bonds 33
Molecular weight (Da) 1159.6

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
AT1 AGTR1 Human Angiotensin A pKi 8.68 8.68 8.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pEC50 8.85 8.85 8.85 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 8.21 8.21 8.21 ChEMBL