FIMASARTAN

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Synonyms
Status
Molecule Category Free-form
ATC C09CA10
UNII P58222188P
EPA CompTox DTXSID80179460

Structure

InChI Key AMEROGPZOLAFBN-UHFFFAOYSA-N
Smiles CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
InChI
InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H31N7OS
Molecular Weight 501.66
AlogP 4.22
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 92.59
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Type-1 angiotensin II receptor antagonist ANTAGONIST PubMed 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
- 0.42-4.5 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 4.5 - - -
Oryctolagus cuniculus
- 0.42 - - -
Rattus norvegicus
- 0.13 - - -

Target Conservation

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

Cross References

Resources Reference
ChEBI 136044
ChEMBL CHEMBL1951143
DrugBank DB09279
DrugCentral 4906
FDA SRS P58222188P
PubChem 9870652
SureChEMBL SCHEMBL20126833
ZINC ZINC000003842872
CONTENTS