Details of the Drug

General Information of Drug (ID: DM8PNKC)

Drug Name

N-(5-methylthiazol-2-yl)-2-phenylacetamide

Synonyms

N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide; AC1NMTHK; CHEMBL425300; MolPort-006-386-848; ZINC3160947; STK408984; AKOS003243303; MCULE-9670423324; ST004442

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)

232.3

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H12N2OS
IUPAC Name: N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
Canonical SMILES: CC1=CN=C(S1)NC(=O)CC2=CC=CC=C2
InChI: InChI=1S/C12H12N2OS/c1-9-8-13-12(16-9)14-11(15)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKey: BZGKXQSOFFPEDI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5015763
TTD ID: D05OFR

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.