MITOGLITAZONE

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Synonyms
Status
Molecule Category Free-form
UNII 29I7RP18RG

Structure

InChI Key IRNJSRAGRIZIHD-UHFFFAOYSA-N
Smiles CCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1
InChI
InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18N2O4S
Molecular Weight 370.43
AlogP 2.8
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 85.36
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
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
657 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
657 - - - -

Cross References

Resources Reference
ChEBI 94409
ChEMBL CHEMBL146624
DrugBank DB11721
FDA SRS 29I7RP18RG
Guide to Pharmacology 11303
SureChEMBL SCHEMBL18538169
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