compound 1 [PMID: 28379944]


SMILES CCc1nc2c(cc(cc2)N(Cc2ccccc2)C(=O)c2cccs2)c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1
InChIKey KDPHUUTUDFDLBT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 623.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 5UNG 5UNF

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pKi 6.74 6.74 6.74 Guide to Pharmacology
AT2 AGTR2 Human Angiotensin A pKi 9.47 9.47 9.47 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT2 AGTR2 Rat Angiotensin A pIC50 10.22 10.22 10.22 ChEMBL
AT1 AGTR1 Rabbit Angiotensin A pIC50 6.7 6.7 6.7 ChEMBL