Details of the Drug

General Information of Drug (ID: DMFJLWO)

Drug Name
3-Hydroxy-Myristic Acid
Synonyms 3-hydroxymyristate; 3-hydroxytetradecanoate; beta-hydroxymyristate; 3-hydroxy myristic acid; 3-hydroxytetradecanoate(1-)
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): 1 Molecular Weight (mw) 244.37
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H28O3
IUPAC Name
(3R)-3-hydroxytetradecanoic acid
Canonical SMILES
CCCCCCCCCCC[C@H](CC(=O)O)O
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
InChIKey
ATRNZOYKSNPPBF-CYBMUJFWSA-N
Cross-matching ID
PubChem CID
5288266
ChEBI ID
CHEBI:42539
CAS Number
28715-21-1
DrugBank ID
DB02767
TTD ID
D0A0GD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lymphocyte antigen 96 (LY96) TT8S9AV LY96_HUMAN Inhibitor [1]
Toll-like receptor 4 (TLR4) TTISGCA TLR4_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
Toll-like receptor 4 (TLR4) DTT TLR4 5.26E-01 0.35 0.46
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.