Details of the Drug

General Information of Drug (ID: DMME0VN)

• Drug Name: Phosphoric acid monododecyl ester
• Synonyms: Dodecyl dihydrogen phosphate; Monolauryl phosphate; Phosphoric acid, monododecyl ester; Monododecyl phosphate; 2627-35-2; Dihydrogen monolauryl phosphate; Lauryl dihydrogen phosphate; Mono-n-Dodecyl Phosphate; 12751-23-4; UNII-0K08L8GE2H; CHEMBL187711; 0K08L8GE2H; TVACALAUIQMRDF-UHFFFAOYSA-N; EINECS 220-095-4; NSC 41919; dodecylphosphoric acid; mono-Lauryl phosphate; mono-dodecyl phosphate; Momo-dodecyl phosphate; dodecyl phosphoric acid

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 266.31
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H27O4P
  IUPAC Name: dodecyl dihydrogen phosphate
  Canonical SMILES: CCCCCCCCCCCCOP(=O)(O)O
  InChI: InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
  InChIKey: TVACALAUIQMRDF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 75816
  CAS Number: 2627-35-2
  TTD ID: D0XJ9P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysophosphatidic acid receptor 1 (LPAR1)	TTQ6S1K	LPAR1_HUMAN	Inhibitor	[1]

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
Lysophosphatidic acid receptor 1 (LPAR1)	DTT	LPAR1	6.48E-01	-0.04	-0.24

References

• [1] Synthesis, structure-activity relationships, and biological evaluation of fatty alcohol phosphates as lysophosphatidic acid receptor ligands, activ... J Med Chem. 2005 Jul 28;48(15):4919-30.