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]
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
CHEMBL15611
CAS Number
5429-85-6
TTD ID
D0T7YM
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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 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) 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.