Details of the Drug

General Information of Drug (ID: DM7SNU0)

Drug Name

BW-A137C

Synonyms

106328-28-3

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)

271.31

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H17NO3
IUPAC Name: N-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]acetamide
Canonical SMILES: CC(=O)N(CC1=CC=C(C=C1)OCC2=CC=CC=C2)O
InChI: InChI=1S/C16H17NO3/c1-13(18)17(19)11-14-7-9-16(10-8-14)20-12-15-5-3-2-4-6-15/h2-10,19H,11-12H2,1H3
InChIKey: LWIAYVCOMRXMSJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_HUMAN	Modulator	[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
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	4.15E-01	-0.06	-0.15

Molecular Expression Atlas (MEA)

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References

1	Selective inhibition of arachidonate 5-lipoxygenase by novel acetohydroxamic acids: effects on bronchial anaphylaxis in anaesthetized guinea-pigs. Br J Pharmacol. 1988 Jun;94(2):540-6.