Details of the Drug

General Information of Drug (ID: DMNJ2CS)

Drug Name

1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea

Synonyms

CHEMBL389884; ZINC28225822

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)

250.28

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C10H10N4O2S
IUPAC Name: 1-(4-methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea
Canonical SMILES: COC1=CC=C(C=C1)NC(=O)NC2=NN=CS2
InChI: InChI=1S/C10H10N4O2S/c1-16-8-4-2-7(3-5-8)12-9(15)13-10-14-11-6-17-10/h2-6H,1H3,(H2,12,13,14,15)
InChIKey: WRRMEHJVEKNTQJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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
LOX-5 messenger RNA (ALOX5 mRNA)	DTT	ALOX5	9.43E-03	0.14	0.28

Molecular Expression Atlas (MEA)

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References

1	Identification of natural-product-derived inhibitors of 5-lipoxygenase activity by ligand-based virtual screening. J Med Chem. 2007 May 31;50(11):2640-6.