Details of the Drug

General Information of Drug (ID: DMS57HX)

Drug Name

Phosphoric acid mono-((E)-dec-4-enyl) ester

Synonyms

CHEMBL188081; Phosphoric acid mono-((E)-dec-4-enyl) ester; SCHEMBL193089; 4-Decen-1-ol, dihydrogen phosphate; BDBM50170856

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): 0

Molecular Weight (mw)

236.24

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H21O4P
IUPAC Name: [(E)-dec-4-enyl] dihydrogen phosphate
Canonical SMILES: CCCCC/C=C/CCCOP(=O)(O)O
InChI: InChI=1S/C10H21O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h6-7H,2-5,8-10H2,1H3,(H2,11,12,13)/b7-6+
InChIKey: KAHLDJCENUPBQU-VOTSOKGWSA-N

Cross-matching ID

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.