Details of the Drug

General Information of Drug (ID: DMXCSVH)

Drug Name

Oleic acid anilide

Synonyms

Oleanilide; Oleic acid anilide; Oleoylanilide; Oleylanilide; cis-9-Octadecenanilide; Oleyl anilide; (Z)-N-Phenyl-9-octadeceneamide; 5429-85-6; N-Phenyl-9Z-octadecenamide; (Z)-N-phenyl-9-octadecenamide; CHEBI:53721; EINECS 226-584-9; NSC 14233; 9-Octadecenamide, N-phenyl-, (Z)-; BRN 3533033; CHEMBL15611; (9Z)-N-phenyloctadec-9-enamide; Oleic anilide; C24H39NO; Oleanilide (7CI); AC1NS5WI; Epitope ID:117134; 2-12-00-00150 (Beilstein Handbook Reference); SCHEMBL4143902; (Z)-N-phenyloctadec-9-enamide; Octadec-9-enoic acid phenylamide

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

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

357.6

Logarithm of the Partition Coefficient (xlogp)

8.8

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C24H39NO
IUPAC Name: (Z)-N-phenyloctadec-9-enamide
Canonical SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)NC1=CC=CC=C1
InChI: InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
InChIKey: YPUOCYKJOLQYQS-KTKRTIGZSA-N

Cross-matching ID

PubChem CID: 5354590
ChEBI ID: CHEBI:53721
CAS Number: 5429-85-6
TTD ID: D0T7YM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Liver carboxylesterase (CES1)	TTMF541	EST1_HUMAN	Inhibitor	[2]
SOAT2 messenger RNA (SOAT2 mRNA)	TTAK0IN	SOAT2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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
Liver carboxylesterase (CES1)	DTT	CES1	3.82E-08	1.86	1.9

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Anti-atherosclerotic and anti-inflammatory activities of catecholic xanthones and flavonoids isolated from Cudrania tricuspidata. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5580-3.
2	Phenolic compounds from the roots of Lindera fruticosa. J Nat Prod. 2006 May;69(5):853-5.