Details of the Drug

General Information of Drug (ID: DMMPSY2)

• Drug Name: SRI 63-441
• Synonyms: Sri 63-441; 104786-62-1; Sandoz 63-441; Sdz 63-441; AC1L338B; SCHEMBL8702414; DTXSID60146736; 1-(2-(Hydroxy((tetrahydro-5-((octadecylaminocarbonyl)oxy)methyl)furan-2-yl)methoxyphosphinyloxy)ethyl)quinolinium; erythro-Hexitol, 2,5-anhydro-3,4-dideoxy-, octadecylcarbamate 2-quinolinioethyl hydrogen phosphate, hydroxide, inner salt; [(2R,5S)-5-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate; DL-erythro-Hexitol, 2,5-anhydro-3,4-dideoxy-, octadecylcarbamate 2-quinolinioethyl hydrogen p
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 662.8
  Logarithm of the Partition Coefficient (xlogp); 10
  Rotatable Bond Count (rotbonds); 27
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C36H59N2O7P
  IUPAC Name: [(2R,5S)-5-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate
  Canonical SMILES: CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1CC[C@@H](O1)COP(=O)([O-])OCC[N+]2=CC=CC3=CC=CC=C32
  InChI: InChI=1S/C36H59N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-36(39)42-30-33-24-25-34(45-33)31-44-46(40,41)43-29-28-38-27-20-22-32-21-17-18-23-35(32)38/h17-18,20-23,27,33-34H,2-16,19,24-26,28-31H2,1H3,(H-,37,39,40,41)/t33-,34+/m0/s1
  InChIKey: OLDMQSKCCHULOB-SZAHLOSFSA-N
• Cross-matching ID:
  PubChem CID: 108044
  CAS Number: 104786-62-1
  TTD ID: D0R7MN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet activating factor (PAF)	TT27K59	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Pharmacologic modulation of experimental postischemic hepatic function. Ann Surg. 1989 Feb;209(2):200-10.