CANDESARTAN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C09CA06
UNII S8Q36MD2XX
EPA CompTox DTXSID0022725

Structure

InChI Key HTQMVQVXFRQIKW-UHFFFAOYSA-N
Smiles CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
InChI
InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H20N6O3
Molecular Weight 440.46
AlogP 4.03
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 118.81
Molecular species ACID
Aromatic Rings 5.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Type-1 angiotensin II receptor antagonist ANTAGONIST PubMed PubMed Other
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
- 0.69-110 3.162-10 0.64-10.4 7-100
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 28.4-52.1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 6.3
Unclassified protein
- - - - 98-100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 110-110 - - -
Escherichia coli
- - - - 98-100
Homo sapiens
- 0.69-10.72 - 3.5-10.4 6.3-52.1
Oryctolagus cuniculus
- 0.2-28 - 0.64 -
Rattus norvegicus
- - 3.162-10 0.17 67-100

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 3347
ChEMBL CHEMBL1016
DrugBank DB13919
FDA SRS S8Q36MD2XX
Human Metabolome Database HMDB0014934
Guide to Pharmacology 587
PharmGKB PA448765
PubChem 2541
SureChEMBL SCHEMBL3938
ZINC ZINC000003782818
CONTENTS