compound 2 [PMID: 28379944]


SMILES CCCc1nc2c(cc(cc2)N(Cc2ccco2)C(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1
InChIKey SYDVEZUPFQXMSM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 621.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 5UNH

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pKi 8.43 8.43 8.43 Guide to Pharmacology
AT2 AGTR2 Human Angiotensin A pKi 9.46 9.46 9.46 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database