irbesartan


SMILES CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2
InChIKey YOSHYTLCDANDAN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 428.2

Drug properties

Molecular type Small molecule
Endogenous/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 8.71 8.71 8.71 Guide to Pharmacology
AT1 AGTRB Rat Angiotensin A pKi 9.1 9.1 9.1 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 8.7 8.91 9.1 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 8.04 8.04 8.04 Drug Central
ETA EDNRA Human Endothelin A pKi 8.3 8.3 8.3 Drug Central
AT1 AGTRB Rat Angiotensin A pKi 8.04 8.04 8.04 Drug Central
ETA EDNRA Human Endothelin A pKi 5.0 5.0 5.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pIC50 8.7 8.75 8.8 Guide to Pharmacology
BLT2 LT4R2 Human Leukotriene A pEC50 6.39 6.39 6.39 ChEMBL
AT1 AGTRA Rat Angiotensin A pIC50 9.05 9.05 9.05 ChEMBL
AT1 AGTRB Rat Angiotensin A pIC50 8.89 8.89 8.89 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 7.68 7.95 8.22 ChEMBL