TELMISARTAN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C09CA07
UNII U5SYW473RQ
EPA CompTox DTXSID8023636

Structure

InChI Key RMMXLENWKUUMAY-UHFFFAOYSA-N
Smiles CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChI
InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H30N4O2
Molecular Weight 514.63
AlogP 7.26
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 72.94
Molecular species ACID
Aromatic Rings 6.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
Type-1 angiotensin II receptor antagonist ANTAGONIST PubMed PubMed DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- - - - 97
Enzyme
- 420-540 - 100-190 97
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
- 0.33-150 - 0.23-0.23 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
700 - - - 61.3-91
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - 960 41.88-109.4
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 38
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - 960 41.88-77.57
Homo sapiens
700 0.49-540 - 100-190 38-109.4
Rattus norvegicus
- 3.8-70.5 - 0.23-3.7 -

Target Conservation

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

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 9434
ChEMBL CHEMBL1017
DrugBank DB00966
DrugCentral 2583
FDA SRS U5SYW473RQ
Human Metabolome Database HMDB0015101
Guide to Pharmacology 592
KEGG C07710
PDB TLS
PharmGKB PA451605
PubChem 65999
SureChEMBL SCHEMBL4464
ZINC ZINC000001530886
CONTENTS