CANDESARTAN CILEXETIL


SMILES CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIKey GHOSNRCGJFBJIB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 610.3

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
α2B ADA2B Human Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
β3 ADRB3 Human Adrenoceptors A pKi 8.26 8.26 8.26 Drug Central
A3 AA3R Human Adenosine A pKi 8.21 8.21 8.21 Drug Central
AT1 AGTR1 Rabbit Angiotensin A pKi 8.04 8.04 8.04 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Rabbit Angiotensin A pIC50 6.7 6.7 6.7 ChEMBL
AT1 AGTR1 Bovine Angiotensin A pIC50 8.16 8.16 8.16 Drug Central
AT1 AGTR1 Human Angiotensin A pIC50 8.04 8.04 8.04 Drug Central