Details of the Drug

General Information of Drug (ID: DMJQG25)

• Drug Name: CLX-0921
• Synonyms: CLX-090502; CLX-090503; CLX-090717; CLX-092402

Indication

Disease Entry	ICD 11	Status	REF
Type-2 diabetes	5A11	Phase 1	[1]

• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 519.6
  Logarithm of the Partition Coefficient (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C28H25NO7S
  IUPAC Name: methyl (E)-3-(3,5-dimethoxyphenyl)-2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]prop-2-enoate
  Canonical SMILES: COC1=CC(=CC(=C1)/C=C(\\C2=CC=C(C=C2)OC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)/C(=O)OC)OC
  InChI: InChI=1S/C28H25NO7S/c1-33-22-12-18(13-23(16-22)34-2)14-24(27(31)35-3)19-6-10-21(11-7-19)36-20-8-4-17(5-9-20)15-25-26(30)29-28(32)37-25/h4-14,16,25H,15H2,1-3H3,(H,29,30,32)/b24-14+
  InChIKey: IVAQJHSXBVHUQT-ZVHZXABRSA-N
• Cross-matching ID:
  PubChem CID: 9958278
  CAS Number: 606932-81-4
  DrugBank ID: DB05854
  TTD ID: D06TWE

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 Expression Atlas of This Drug

• The Studied Disease: Type-2 diabetes
• ICD Disease Classification: 5A11

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

References

• [1] A novel peroxisome proliferator-activated gamma (PPAR gamma) agonist, CLX-0921, has potent antihyperglycemic activity with low adipogenic potential. Metabolism. 2003 Aug;52(8):1012-8.