General Information of the Compound
Compound ID
CP0438665
Compound Name
3-Hydroxymyristic Acid
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Synonyms
3-Hydroxy-Myristic Acid
3-hydroxy myristic acid
3-hydroxymyristate
3-hydroxytetradecanoate
3-hydroxytetradecanoate(1-)
beta-hydroxymyristate
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Structure
Formula
C14H28O3
Molecular Weight
244.375
Canonical SMILES
CCCCCCCCCCC[C@@H](O)CC(O)=O
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InChI
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
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InChIKey
ATRNZOYKSNPPBF-CYBMUJFWSA-N
Physicochemical Property
logP
3.7429
Rotatable Bonds
12
Heavy Atom Count
17
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 5288266
SID: 15366857
ChEMBL ID
CHEMBL1232858
DrugBank ID
DB02767
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: PT04383, G-protein coupled receptor 84
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
EC50 = 452 nM
   TI
   LI
   LO
   TS
2
EC50 = 1750 nM
   TI
   LI
   LO
   TS
3
Ki = 472 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-Hydroxy-Myristic Acid )
Drug Name 3-Hydroxy-Myristic Acid
Target(s)
Lymphocyte antigen 96 (LY96)
Inhibitor
Toll-like receptor 4 (TLR4)
Inhibitor