Details of the Drug

General Information of Drug (ID: DM1N08O)

Drug Name

2-(4-methoxyphenyl)-N-(thiazol-2-yl)acetamide

Synonyms

2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide; AC1LGGXP; Cambridge id 5286247; Oprea1_702537; Oprea1_294245; CHEMBL227898; MolPort-001-026-371; ZINC253385; STL503574; AKOS000673322; MCULE-3731631352; BAS 00626097; KB-115460; ST50912475; 2-(4-Methoxy-phenyl)-N-thiazol-2-yl-acetamide; 2-(4-methoxyphenyl)-N-1,3-thiazol-2-ylacetamide; Z28173731

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

248.3

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H12N2O2S
IUPAC Name: 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
Canonical SMILES: COC1=CC=C(C=C1)CC(=O)NC2=NC=CS2
InChI: InChI=1S/C12H12N2O2S/c1-16-10-4-2-9(3-5-10)8-11(15)14-12-13-6-7-17-12/h2-7H,8H2,1H3,(H,13,14,15)
InChIKey: SPAPWVUPZKTBMH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 770967
TTD ID: D05WGA

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]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.