CHEMBL6133895


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CCOCCOCCNC(=O)CCCCCN1/C(=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey MCGAIOLJBVLGCF-SOFDURNHSA-O

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 15
Rotatable bonds 47
Molecular weight (Da) 1643.9

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 8.54 8.57 8.61 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 6.19 6.21 6.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pEC50 6.9 7.08 7.25 ChEMBL