Details of the Drug

General Information of Drug (ID: DMAPO0T)

• Drug Name: Ciglitazone
• Synonyms: ciglitazone; 74772-77-3; Ciglitizone; ADD-3878; Ciglitazonum; Ciglitazona; Ciglitazonum [Latin]; Ciglitazona [Spanish]; Ciglitazone [USAN:INN]; ADD 3878; CHEBI:64227; U-63287; (+-)-5-(p-((1-Methylcyclohexyl)methoxy)benzyl)-2,4-thiazolidinedione; C18H23NO3S; 5-(4-((1-methylcyclohexyl)methoxy)benzyl)thiazolidine-2,4-dione; YZFWTZACSRHJQD-UHFFFAOYSA-N; (+/-)-5-[4-(1-Methylcyclohexylmethoxy)benzyl]thiazolidine-2,4-dione; U 63287; 5-{4-[(1-methylcyclohexyl)methoxy]benzyl}-1,3-thiazolidine-2,4-dione; NCGC00164446-01

Indication

Disease Entry	ICD 11	Status	REF
Pulmonary fibrosis	CB03.4	Preclinical	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 333.4
  Topological Polar Surface Area (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H23NO3S
  IUPAC Name: 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
  Canonical SMILES: CC1(CCCCC1)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
  InChI: InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)
  InChIKey: YZFWTZACSRHJQD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2750
  ChEBI ID: CHEBI:64227
  CAS Number: 74772-77-3
  DrugBank ID: DB09201
  TTD ID: D03GWY
  INTEDE ID: DR0322

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	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[3]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Substrate	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Pulmonary fibrosis
• ICD Disease Classification: CB03.4

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
Cytochrome P450 2C8 (CYP2C8)	DME	CYP2C8	1.82E-04	-1.35E-01	-5.84E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	1.04E-02	6.29E-02	3.54E-01

References

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