Details of the Drug

General Information of Drug (ID: DM493GU)

Drug Name

5-oxo-20-HETE

Synonyms

5-oxo-20-hydroxy-6E, 8Z,11Z, 14Z-eicosatetraenoic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

334.4

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

15

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H30O4
IUPAC Name: (6E,8Z,11Z,14Z)-20-hydroxy-5-oxoicosa-6,8,11,14-tetraenoic acid
Canonical SMILES: C(CC/C=C\\C/C=C\\C/C=C\\C=C\\C(=O)CCCC(=O)O)CCO
InChI: InChI=1S/C20H30O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8,10,12,15,21H,1,6-7,9,11,13-14,16-18H2,(H,23,24)/b4-2-,5-3-,10-8-,15-12+
InChIKey: DTSRZRUIWKDHMR-DHYYJNSCSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Oxoeicosanoid receptor 1 (OXER1)	TT7WBSV	OXER1_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6169).
2	Metabolism and biologic effects of 5-oxoeicosanoids on human neutrophils. J Immunol. 1996 Jan 1;156(1):336-42.