Details of the Drug

General Information of Drug (ID: DM2N4BJ)

Drug Name

4-fluorobenzaldehyde O-benzoyloxime

Synonyms

4-fluorobenzaldehyde O-benzoyloxime; CHEMBL180720; SCHEMBL3225285; SCHEMBL3225274

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): 0

Molecular Weight (mw)

243.23

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H10FNO2
IUPAC Name: [(E)-(4-fluorophenyl)methylideneamino] benzoate
Canonical SMILES: C1=CC=C(C=C1)C(=O)O/N=C/C2=CC=C(C=C2)F
InChI: InChI=1S/C14H10FNO2/c15-13-8-6-11(7-9-13)10-16-18-14(17)12-4-2-1-3-5-12/h1-10H/b16-10+
InChIKey: DIEBAKUPBFEXAP-MHWRWJLKSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-activating factor acetylhydrolase (PLA2G7)	TTDNFMT	PAFA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Platelet-activating factor acetylhydrolase (PLA2G7)	DTT	PLA2G7	5.33E-03	0.09	0.23

Molecular Expression Atlas (MEA)

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References

1	Potent inhibitors of lipoprotein-associated phospholipase A(2): benzaldehyde O-heterocycle-4-carbonyloxime. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5576-9.