Details of the Drug

General Information of Drug (ID: DMFT3J2)

• Drug Name: Decyl-phosphonic acid
• Synonyms: Decylphosphonic acid; 6874-60-8; Decanephosphonic acid; Phosphonic acid, decyl-; 1-Decanephosphonic acid; n-Decylphosphonic acid; 1-DECYLPHOSPHONIC ACID; Phosphonic acid, P-decyl-; EINECS 229-975-2; NSC 407850; BRN 1771572; AI3-23065; CHEMBL188083; DZQISOJKASMITI-UHFFFAOYSA-N; C10H23O3P; DecylphosphonicAcid; 1-decanephosphonicacid; n-Decanephosphonic acid; ACMC-1CUHV; Phosphonic acid,P-decyl-; Decylphosphonic acid, 97%; AC1Q6RQ2; 10; 4-04-00-03564 (Beilstein Handbook Reference); SCHEMBL110008

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 222.26
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H23O3P
  IUPAC Name: decylphosphonic acid
  Canonical SMILES: CCCCCCCCCCP(=O)(O)O
  InChI: InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)
  InChIKey: DZQISOJKASMITI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 81309
  CAS Number: 6874-60-8
  TTD ID: D06YTN

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.