LOSARTAN

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Synonyms
Status
Molecule Category Free-form
ATC C09CA01
UNII JMS50MPO89
EPA CompTox DTXSID7023227

Structure

InChI Key PSIFNNKUMBGKDQ-UHFFFAOYSA-N
Smiles CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
InChI
InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23ClN6O
Molecular Weight 422.92
AlogP 4.27
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 92.51
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 19 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
350 0.33-425 1.585-199.53 1.9-95 0.32-87
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
- - - - 50
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 288.4 - 160-890 3.759-23.21
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 12
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
350 95-300 - - -
Canis lupus familiaris
- - - - 76
Cavia porcellus
- 8-18 - - -
Cercopithecidae
- - - - 0.32-76
Cricetulus griseus
- 288.4 - 160-890 3.759-23.21
Homo sapiens
- 0.33-350 - 5.012-17 12-87
Oryctolagus cuniculus
- 3-89 1.585-199.53 - -
Pan troglodytes
- - - - 13-66
Rattus norvegicus
- 0.82-85 3.715-39.81 1.41-13.86 -72-94

Environmental Exposure

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

Cross References

Resources Reference
ChEBI 6541
ChEMBL CHEMBL191
DrugBank DB00678
DrugCentral 1610
FDA SRS JMS50MPO89
Human Metabolome Database HMDB0014816
Guide to Pharmacology 590
KEGG C07072
PDB LSN
PharmGKB PA450268
PubChem 3961
SureChEMBL SCHEMBL60
ZINC ZINC000003873160
CONTENTS