YM-543

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Synonyms
Status
Molecule Category Free-form
UNII KA83KI0EO9

Structure

InChI Key AGJJCLBOHJQGFA-ZQGJOIPISA-N
Smiles OC[C@H]1O[C@@H](c2cc(Cc3cc4cccccc-4c3)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C23H24O6/c24-12-19-20(26)21(27)22(28)23(29-19)17-11-13(6-7-18(17)25)8-14-9-15-4-2-1-3-5-16(15)10-14/h1-7,9-11,19-28H,8,12H2/t19-,20-,21+,22-,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H37NO7
Molecular Weight 499.6
AlogP 1.6
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 110.38
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Sodium/glucose cotransporter 2 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC05 family of sodium-dependent glucose transporters
- 8.9 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 8.9 - - -

Target Conservation

Protein: Sodium/glucose cotransporter 2
Description: Sodium/glucose cotransporter 2
Organism : Homo sapiens
P31639 ENSG00000140675

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297452
FDA SRS KA83KI0EO9
PubChem 11998655
SureChEMBL SCHEMBL4231628
ChEMBL CHEMBL2397450
FDA SRS 00X1DX441H
PubChem 11998655
SureChEMBL SCHEMBL980608
ZINC ZINC000003939471
CONTENTS