Details of the Drug

General Information of Drug (ID: DM0K7U5)

Drug Name

5-(6-chloro-2-hexyl-1H-indol-1-yl)-5-oxo-valeric acid

Synonyms

compound 39 [PMID: 23581530]

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)

349.8

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H24ClNO3
IUPAC Name: 5-(6-chloro-2-hexylindol-1-yl)-5-oxopentanoic acid
Canonical SMILES: CCCCCCC1=CC2=C(N1C(=O)CCCC(=O)O)C=C(C=C2)Cl
InChI: InChI=1S/C19H24ClNO3/c1-2-3-4-5-7-16-12-14-10-11-15(20)13-17(14)21(16)18(22)8-6-9-19(23)24/h10-13H,2-9H2,1H3,(H,23,24)
InChIKey: KNTPSPKZGNVRML-UHFFFAOYSA-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	Antagonist	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	5-Oxo-ETE receptor antagonists. J Med Chem. 2013 May 9;56(9):3725-32.