CANDESARTAN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: C09CA06
UNII: S8Q36MD2XX

Structure
InChI Key HTQMVQVXFRQIKW-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Type-1 angiotensin II receptor antagonist PubMed PubMed Other
Primary Target
AT1 receptor
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
- 110-110 3-10 4-10 7-100
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 28
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 6
Unclassified protein
- - - - 98-100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Aortic Valve Stenosis 3 D001024 ClinicalTrials
Atrial Fibrillation 3 D001281 ClinicalTrials
Heart Diseases 3 D006331 ClinicalTrials
Essential Hypertension 3 D000075222 ClinicalTrials
Hypertrophy, Left Ventricular 3 D017379 ClinicalTrials
Cognitive Dysfunction 2 D060825 ClinicalTrials
Migraine Disorders 2 D008881 ClinicalTrials
Peripheral Nervous System Diseases 2 D010523 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Hepatitis C 2 D006526 ClinicalTrials
Cardiomyopathy, Hypertrophic 2 D002312 ClinicalTrials
Migraine with Aura 2 D020325 ClinicalTrials
Migraine without Aura 2 D020326 ClinicalTrials
Substance-Related Disorders 1 D019966 ClinicalTrials
Amphetamine-Related Disorders 1 D019969 ClinicalTrials
Liver Diseases, Alcoholic 1 D008108 ClinicalTrials
Bipolar Disorder 0 D001714 ClinicalTrials
Barrett Esophagus 0 D001471 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 139481-59-7
ChEBI 3347
ChEMBL CHEMBL1016
DrugBank DB13919
EPA CompTox DTXSID0022725
FDA SRS S8Q36MD2XX
Human Metabolome Database HMDB0014934
Guide to Pharmacology 587
PharmGKB PA448765
PubChem 2541
SureChEMBL SCHEMBL3938
ZINC ZINC000003782818
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