Details of the Drug

General Information of Drug (ID: DMAZNVX)

• Drug Name: YM-264
• Synonyms: YM 264; 131888-54-5; 1-(3-Methyl-3-phenylbutyl)-4-(2-(3-pyridyl)thiazolidin-4-ylcarbonyl)piperazine fumarate; 1-(3-methyl-3-phenylbutyl]-4-[2-(3-pyridyl)thiazolidin-4-ylcarbonyl]piperazine fumarate; AC1O5RFQ; SCHEMBL9819914; SCHEMBL9819910; LBPPBLYOJCIZRW-WLHGVMLRSA-N; BCP20243; HY-101833; CS-0021927

Indication

Disease Entry	ICD 11	Status	REF
Sepsis	1G40-1G41	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 540.7
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 8
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 9
• Chemical Identifiers:
  Formula: C28H36N4O5S
  IUPAC Name: (E)-but-2-enedioic acid;[4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
  Canonical SMILES: CC(C)(CCN1CCN(CC1)C(=O)C2CSC(N2)C3=CN=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\\C(=O)O
  InChI: InChI=1S/C24H32N4OS.C4H4O4/c1-24(2,20-8-4-3-5-9-20)10-12-27-13-15-28(16-14-27)23(29)21-18-30-22(26-21)19-7-6-11-25-17-19;5-3(6)1-2-4(7)8/h3-9,11,17,21-22,26H,10,12-16,18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
  InChIKey: LBPPBLYOJCIZRW-WLHGVMLRSA-N
• Cross-matching ID:
  PubChem CID: 6439322
  CAS Number: 131888-54-5
  TTD ID: D0W6AF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-activating factor receptor (PTAFR)	TTQL5VC	PTAFR_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Sepsis
• ICD Disease Classification: 1G40-1G41

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Platelet-activating factor receptor (PTAFR)	DTT	PTAFR	3.53E-02	0.33	2.12

References

• [1] Current Pharmaceutical Design. Page(175).
• [2] Effects of YM264, a novel PAF antagonist, on puromycin aminonucleoside-induced nephropathy in the rat. Biochem Biophys Res Commun. 1991 Apr 30;176(2):781-5.