Details of the Drug

General Information of Drug (ID: DM09UIS)

Drug Name

SB-202235

Synonyms

139149-55-6; SB-202236

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)

224.21

Logarithm of the Partition Coefficient (xlogp)

-0.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H12N2O4
IUPAC Name: 1-hydroxy-1-[(3S)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]urea
Canonical SMILES: COC1=CC2=C(C=C1)[C@@H](CO2)N(C(=O)N)O
InChI: InChI=1S/C10H12N2O4/c1-15-6-2-3-7-8(12(14)10(11)13)5-16-9(7)4-6/h2-4,8,14H,5H2,1H3,(H2,11,13)/t8-/m1/s1
InChIKey: KQTIJEDPTHQHRM-MRVPVSSYSA-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	Pharmacological characterization of SB 202235, a potent and selective 5-lipoxygenase inhibitor: effects in models of allergic asthma. J Pharmacol Exp Ther. 1995 Jun;273(3):1147-55.