General Information of the Compound
Compound ID
CP0391910
Compound Name
[(E)-dec-4-enyl] dihydrogen phosphate
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Synonyms
4-Decen-1-ol, dihydrogen phosphate
BDBM50170856
CHEMBL188081
Phosphoric acid mono-((E)-dec-4-enyl) ester
SCHEMBL193089
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Structure
Formula
C10H21O4P
Molecular Weight
236.248
Canonical SMILES
CCCCC\C=C\CCCOP(O)(O)=O
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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+
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InChIKey
KAHLDJCENUPBQU-VOTSOKGWSA-N
Physicochemical Property
logP
3.0124
Rotatable Bonds
9
Heavy Atom Count
15
Polar Areas
66.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11276402
SID: 16362994
ChEMBL ID
CHEMBL188081
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03925, Lysophosphatidic acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777 Rattus norvegicus (Rat)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04536, Lysophosphatidic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777 Rattus norvegicus (Rat)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02824, Lysophosphatidic acid receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777 Rattus norvegicus (Rat)  2
1
IC50 = 830 nM
   TI
   LI
   LO
   TS
2
Ki = 370 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Phosphoric acid mono-((E)-dec-4-enyl) ester )
Drug Name Phosphoric acid mono-((E)-dec-4-enyl) ester
Target(s)
Lysophosphatidic acid receptor 1 (LPAR1)
Inhibitor