Details of the Drug

General Information of Drug (ID: DMJP5YH)

Drug Name

4-(dimethylamino)-N-(thiazol-2-yl)benzamide

Synonyms

4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide; AC1M7A6S; CHEMBL425124; MolPort-004-070-500; ZINC3346941; AKOS017059191; MCULE-5265697892; N-(Thiazole-2-yl)-4-(dimethylamino)benzamide; Z28173761

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)

247.32

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H13N3OS
IUPAC Name: 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide
Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=O)NC2=NC=CS2
InChI: InChI=1S/C12H13N3OS/c1-15(2)10-5-3-9(4-6-10)11(16)14-12-13-7-8-17-12/h3-8H,1-2H3,(H,13,14,16)
InChIKey: RGXFQNTVZRGDNG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2463677
TTD ID: D09MTV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
LOX-5 messenger RNA (ALOX5 mRNA)	TTSJ6Q4	LOX5_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.