olmesartan   Click here for help

GtoPdb Ligand ID: 591

Synonyms: Benicar® | CS-866 | Olmetec®
Approved drug
olmesartan is an approved drug (FDA (2002))
Compound class: Synthetic organic
Comment: Marketed formulations may contain olmesartan medoxomil (PubChem CID 130881).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 162.16
Molecular weight 558.22
XLogP 5.55
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C
Isomeric SMILES CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C
InChI InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
InChI Key UQGKUQLKSCSZGY-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
AT1 receptor Primary target of this compound Hs Antagonist Antagonist 8.1 pIC50 - 1
pIC50 8.1 [1]