OLMESARTAN

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Synonyms
Status
Molecule Category Free-form
UNII 8W1IQP3U10
EPA CompTox DTXSID2040571

Structure

InChI Key VTRAEEWXHOVJFV-UHFFFAOYSA-N
Smiles CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
InChI
InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26N6O3
Molecular Weight 446.51
AlogP 3.66
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 129.81
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Type-1 angiotensin II receptor antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
- 7.7-8.1 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 7.7-8.1 - - -
Rattus norvegicus
- - 2.3 - 77-98

Target Conservation

Protein: Type-1 angiotensin II receptor
Description: Type-1 angiotensin II receptor
Organism : Homo sapiens
P30556 ENSG00000144891

Related Entries

Cross References

Resources Reference
ChEBI 48416
ChEMBL CHEMBL1516
DrugBank DB00275
FDA SRS 8W1IQP3U10
Human Metabolome Database HMDB0014420
Guide to Pharmacology 591
PDB OLM
PubChem 158781
SureChEMBL SCHEMBL94037
ZINC ZINC000000538621
CONTENTS