CHEMBL6147645


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)NC(=O)[C@@H](N)CC(=O)NC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(N(C)C)ccc12)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 OXFNZYNXMCMIGQ-FMPQGJHCSA-O

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 13
Rotatable bonds 32
Molecular weight (Da) 1413.7

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
AT2 AGTR2 Human Angiotensin A pKi 8.7 8.71 8.73 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 6.68 6.69 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pEC50 6.63 7.31 8.04 ChEMBL