Details of the Drug

General Information of Drug (ID: DMDN4A1)

Drug Name
Glitazone
Synonyms
74772-78-4; 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione; 5-(4-Hydroxybenzyl)-2,4-thiazolidinedione; 5-(4-HYDROXYBENZYL)-1,3-THIAZOLIDINE-2,4-DIONE; U-90441; 2,4-dioxo-5-[(p-hydroxyphenyl)-methyl]thiazolidine; 5-[(4-Hydroxyphenyl)methyl]-2,4-thiazolidinedione; 2,4-Thiazolidinedione, 5-[(4-hydroxyphenyl)methyl]-; Glitazone; 5-(4-Hydroxybenzyl)thiazolidin-2,4-dione; ACMC-1BF0J; Pioglitazone Metabolite M1; SCHEMBL623021; SCHEMBL18174924; CTK5E0483; MolPort-006-394-329; NKOHRVBBQISBSB-UHFFFAOYSA-N; ZX-AT015682; KM1640; CH-087
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 223.25
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H9NO3S
IUPAC Name
5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Canonical SMILES
C1=CC(=CC=C1CC2C(=O)NC(=O)S2)O
InChI
InChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,8,12H,5H2,(H,11,13,14)
InChIKey
NKOHRVBBQISBSB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10198397
CAS Number
74772-78-4
TTD ID
D0S2BV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Peroxisome proliferator-activated receptor gamma (PPAR-gamma) TTZMAO3 PPARG_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Peroxisome proliferator-activated receptor gamma (PPAR-gamma) DTT PPARG 2.41E-01 -0.06 -0.25
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Peroxisome proliferator-activated receptor alpha activators improve insulin sensitivity and reduce adiposity. J Biol Chem. 2000 Jun 2;275(22):16638-42.