PRATOSARTAN

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Synonyms
Status
Molecule Category Free-form
UNII 66VLQ6E6DL

Structure

InChI Key KCTFTBCZZUBAKN-UHFFFAOYSA-N
Smiles CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CCCC2
InChI
InChI=1S/C25H26N6O/c1-2-7-23-26-21-10-5-6-11-22(32)24(21)31(23)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)25-27-29-30-28-25/h3-4,8-9,12-15H,2,5-7,10-11,16H2,1H3,(H,27,28,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H26N6O
Molecular Weight 426.52
AlogP 4.64
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 89.35
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Solute carrier family 22 member 12 inhibitor INHIBITOR 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
- 0.8-0.8 0.0912-0.09772 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Oryctolagus cuniculus
- - 0.0912-0.09772 - -

Target Conservation

Protein: Type-1 angiotensin II receptor
Description: Type-1 angiotensin II receptor
Organism : Homo sapiens
P30556 ENSG00000144891
Protein: Solute carrier family 22 member 6
Description: Solute carrier family 22 member 6
Organism : Homo sapiens
Q4U2R8 ENSG00000197901
Protein: Solute carrier family 22 member 8
Description: Organic anion transporter 3
Organism : Homo sapiens
Q8TCC7 ENSG00000149452
Protein: Solute carrier family 22 member 12
Description: Solute carrier family 22 member 12
Organism : Homo sapiens
Q96S37 ENSG00000197891

Related Entries

Cross References

Resources Reference
ChEBI 32041
ChEMBL CHEMBL41194
FDA SRS 66VLQ6E6DL
PubChem 9802561
SureChEMBL SCHEMBL93595
ZINC ZINC000003786304
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