Details of the Drug

General Information of Drug (ID: DMEML8B)

Drug Name
15-hydroxyeicosatetraenoic acid
Synonyms 15-Hydroxyeicosatetraenoic acid; Eicosatetraenoic acid, 15-hydroxy-; AC1O5OKC; SCHEMBL462602; LS-63796; (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid
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) 320.5
Logarithm of the Partition Coefficient (xlogp) 6
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H32O3
IUPAC Name
(2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid
Canonical SMILES
CCCCCC(CCCCC/C=C/C=C/C=C/C=C/C(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-6,8,10,12,15,18-19,21H,2-3,7,9,11,13-14,16-17H2,1H3,(H,22,23)/b5-4+,8-6+,12-10+,18-15+
InChIKey
GQHZVWMHPQXBIA-QYANQBPOSA-N
Cross-matching ID
PubChem CID
6437873
CAS Number
73180-00-4
TTD ID
D01VLQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_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
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Preview of potential therapeutic applications of leukotriene B4 inhibitors in dermatology. Skin Pharmacol Appl Skin Physiol. 2000 Sep-Oct;13(5):235-45.