Details of the Drug

General Information of Drug (ID: DMG5MJL)

Drug Name
Phosphoric acid monotetradecyl ester
Synonyms
Tetradecyl dihydrogen phosphate; UNII-DF6HW7A5EB; 1-Tetradecanol, dihydrogen phosphate; 10054-29-2; Phosphoric acid monotetradecyl ester; DF6HW7A5EB; CHEMBL187633; 69029-24-9; myristyl phosphate; EINECS 233-184-8; AC1Q6T1O; SCHEMBL375578; AC1L336V; Phosphoric acid tetradecyl ester; DTXSID1073995; BDBM50170842
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 294.37
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H31O4P
IUPAC Name
tetradecyl dihydrogen phosphate
Canonical SMILES
CCCCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)
InChIKey
KRIXEEBVZRZHOS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
82327
CAS Number
10054-29-2
TTD ID
D04CJG

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.