candesartan


SMILES CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O
InChIKey HTQMVQVXFRQIKW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 440.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pKd 10.29 10.29 10.29 Guide to Pharmacology
AT1 AGTRA Rat Angiotensin A pKd 8.0 8.25 8.5 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.76 5.76 5.76 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 7.98 8.22 8.46 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.5 5.5 5.5 ChEMBL
A3 AA3R Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
AT1 AGTR1 Rabbit Angiotensin A pKi 9.19 9.19 9.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pIC50 9.49 9.61 9.72 Guide to Pharmacology
AT1 AGTR1 Bovine Angiotensin A pIC50 6.96 6.96 6.96 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.42 5.42 5.42 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 6.96 8.03 9.16 ChEMBL
β3 ADRB3 Human Adrenoceptors A pIC50 5.37 5.37 5.37 ChEMBL
BLT2 LT4R2 Human Leukotriene A pEC50 4.82 4.82 4.82 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.91 5.91 5.91 ChEMBL
AT1 AGTR1 Rabbit Angiotensin A pIC50 7.55 7.55 7.55 ChEMBL