Details of the Drug

General Information of Drug (ID: DM50WFM)

Drug Name

[3H]5-oxo-ETE

Synonyms

5-Oxo-ETE; 5-Oxoete; 5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid; 5-Kete; 5-Oxoeicosatetraenoic acid; 5-ketoeicosatetraenoic acid; CHEMBL18028; CHEBI:52449; (6E,8Z,11Z,14Z)-5-Oxoicosa-6,8,11,14-tetraenoic acid; 106154-18-1; 5-Oxo-eicosatetraenoate; 5-Oxoicosatetraenoic acid; [3H]-5-oxo-ETE; 5-Keto-6,8,11,14-eicosatetraenoic acid; 5-keto-ETE; ETE-5-Oxo; AC1NR1NN; BSPBio_001453; SCHEMBL139762; BML1-D12; GTPL3391; GTPL3416; MEASLHGILYBXFO-XTDASVJISA-N; HMS3402I15; HMS1791I15; HMS1989I15; HMS1361I15; ZINC4655377; LMFA03060011; [3H]-5-oxo-ETE; 5-oxo-ETE

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): 2

Molecular Weight (mw)

318.4

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C20H30O3
IUPAC Name: (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoic acid
Canonical SMILES: CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\C(=O)CCCC(=O)O
InChI: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
InChIKey: MEASLHGILYBXFO-XTDASVJISA-N

Cross-matching ID

PubChem CID: 5283159
ChEBI ID: CHEBI:52449
CAS Number: 106154-18-1
TTD ID: D0US4S

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)

MIA Detail

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: 3391).
2	Receptors for the 5-oxo class of eicosanoids in neutrophils. J Biol Chem. 1998 Dec 4;273(49):32535-41.