Details of the Drug

General Information of Drug (ID: DM4GZBI)

• Drug Name: Indolizine derivative 1
• Synonyms: PMID27718763-Compound-5
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 407.4
  Logarithm of the Partition Coefficient (xlogp); 6.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C24H16F3NO2
  IUPAC Name: 1-[2-phenyl-1-[4-(trifluoromethyl)benzoyl]indolizin-3-yl]ethanone
  Canonical SMILES: CC(=O)C1=C(C(=C2N1C=CC=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4
  InChI: InChI=1S/C24H16F3NO2/c1-15(29)22-20(16-7-3-2-4-8-16)21(19-9-5-6-14-28(19)22)23(30)17-10-12-18(13-11-17)24(25,26)27/h2-14H,1H3
  InChIKey: GLIRMGCILWOVQU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71679723
  TTD ID: D00CKV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 15-lipoxygenase (15-LOX)	TTN9T81	LOX15_HUMAN	Inhibitor	[1]
Platelet-activating factor acetylhydrolase (PLA2G7)	TTDNFMT	PAFA_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Platelet-activating factor acetylhydrolase (PLA2G7)	DTT	PLA2G7	5.33E-03	0.09	0.23

References

• [1] Inhibitors of phospholipase A2 and their therapeutic potential: an update on patents (2012-2016).Expert Opin Ther Pat. 2017 Feb;27(2):217-225.