Details of the Drug

General Information of Drug (ID: DMRZAQW)

• Drug Name: PAF
• Synonyms: Platelet activating factor; PAF (C16); Platelet-activating factor; 74389-68-7; C16-PAF; 1-O-Hexadecyl-2-acetyl-sn-glycero-3-phosphocholine; Hag-PC; APRL; Hexadecyl-paf-acether; Platelet-activating factor C16; 1-O-Hexadecyl-platelet-activating factor; PAF C-16; 1-O-Hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine; 1-O-Hexadecyl-2-acetyl-sn-glyceryl-3-phosphorylcholine; 1-Hexadecyl-2-acetyl-glycero-3-phosphocholine; C16-PAF acether; 1-Hexadecyl-2-acetyl-sn-glycero-3-phosphocholine; Blood platelet-activating factor; platelet activating factor; [3H]PAF

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1], [2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 523.7
  Topological Polar Surface Area (xlogp); 6.5
  Rotatable Bond Count (rotbonds); 26
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C26H54NO7P
  IUPAC Name: [(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
  Canonical SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
  InChI: InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
  InChIKey: HVAUUPRFYPCOCA-AREMUKBSSA-N
• Cross-matching ID:
  PubChem CID: 108156
  ChEBI ID: CHEBI:44811
  CAS Number: 74389-68-7
  DrugBank ID: DB02261
  TTD ID: D04FHG

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	Agonist	[3], [4]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

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] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1833).
• [2] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1831).
• [3] Identification of transmembrane domain residues determinant in the structure-function relationship of the human platelet-activating factor receptor by site-directed mutagenesis. J Biol Chem. 1996 Sep20;271(38):23298-303.
• [4] Single nucleotide polymorphism of human platelet-activating factor receptor impairs G-protein activation. J Biol Chem. 2001 Nov 16;276(46):43025-30.
• [5] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [6] Designed multiple ligands. An emerging drug discovery paradigm. J Med Chem. 2005 Oct 20;48(21):6523-43.
• [7] Amino acid residues critical for endoplasmic reticulum export and trafficking of platelet-activating factor receptor. J Biol Chem. 2010 Feb 19;285(8):5931-40.
• [8] Anti-inflammatory activities of LDP-392, a dual PAF receptor antagonist and 5-lipoxygenase inhibitor. Pharmacol Res. 2001 Sep;44(3):213-20.
• [9] Lexipafant and acute pancreatitis: a critical appraisal of the clinical trials.Eur J Surg.2002;168(4):215-9.
• [10] 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.
• [11] The intestinal anti-inflammatory effect of dersalazine sodium is related to a down-regulation in IL-17 production in experimental models of rodent colitis. Br J Pharmacol. 2012 February; 165(3): 729-740.
• [12] Clinical pipeline report, company report or official report of 60 Degrees Pharmaceuticals.
• [13] Sch 37370: a new drug combining antagonism of platelet-activating factor (PAF) with antagonism of histamine. Agents Actions Suppl. 1991;34:313-21.
• [14] Biochemical and pharmacological activities of SR 27417, a highly potent, long-acting platelet-activating factor receptor antagonist. J Pharmacol Exp Ther. 1991 Oct;259(1):44-51.