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
ChEBI ID
CHEMBL1061
CAS Number
74772-78-4
TTD ID
D0S2BV
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.