CHEMBL3787700


SMILES CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C
InChIKey YYUUARMGLOSDEX-UDVNALPLSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 15
Rotatable bonds 35
Molecular weight (Da) 1215.6

Drug properties

Molecular type Small molecule
Endogenous/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 pKd 9.03 9.03 9.03 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 9.15 9.15 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pEC50 8.96 8.96 8.96 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 8.66 8.66 8.66 ChEMBL