Details of the Drug

General Information of Drug (ID: DM0GQJ2)

• Drug Name: Di-Stearoyl-3-Sn-Phosphatidylcholine
• Synonyms: DI-STEAROYL-3-SN-PHOSPHATIDYLCHOLINE; DSPC;L-,-Distearoyl--lecithin; Distearoylphosphatidylcholine; AC1L3RPB; SCHEMBL10001505; ZINC85433138; DB04178; DB-027511; 816D944; O-(1-O,2-O-Distearoyl-L-glycero-3-phospho)choline

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 791.2
  Logarithm of the Partition Coefficient (xlogp); 15.7
  Rotatable Bond Count (rotbonds); 44
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C44H89NO8P+
  IUPAC Name: 2-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
  Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
  InChI: InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1
  InChIKey: NRJAVPSFFCBXDT-HUESYALOSA-O
• Cross-matching ID:
  PubChem CID: 94191
  DrugBank ID: DB04178
  TTD ID: D06LYY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenine nucleotide translocator 1 (SLC25A4)	TTU5A6Q	ADT1_HUMAN	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.