EPROSARTAN

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Synonyms
Status
Molecule Category Free-form
ATC C09CA02
UNII 2KH13Z0S0Y
EPA CompTox DTXSID0022989

Structure

InChI Key OROAFUQRIXKEMV-LDADJPATSA-N
Smiles CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1
InChI
InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24N2O4S
Molecular Weight 424.52
AlogP 4.74
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 92.42
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

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
- 1-363 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 1-9.2 - - -

Cross References

Resources Reference
ChEBI 4814
ChEMBL CHEMBL813
DrugBank DB00876
DrugCentral 1037
FDA SRS 2KH13Z0S0Y
Human Metabolome Database HMDB0015014
Guide to Pharmacology 3940
PubChem 5281037
SureChEMBL SCHEMBL4025
ZINC ZINC000029319828
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