Details of the Drug

General Information of Drug (ID: DMTCA2Z)

Drug Name
N-(4-methylthiazol-2-yl)benzamide
Synonyms
N-(4-methylthiazol-2-yl)benzamide; N-(4-methyl-1,3-thiazol-2-yl)benzamide; 37529-67-2; N-(4-Methyl-thiazol-2-yl)-benzamide; CHEMBL209410; AC1LEZPY; BAS 00470405; Enamine_001521; TimTec1_007096; MLS001212480; SCHEMBL1270190; MolPort-000-432-004; HMS2828E18; HMS1554C12; HMS1398F03; ZINC5712475; BDBM50186335; AKOS000591433; AKOS002234121; MCULE-9983922498; DA-42608; SMR000514239; KB-109083; N-(4-Methylthiazol-2-yl)benzenecarboxamide; N-(4-methyl(1,3-thiazol-2-yl))benzamide; ST50002848; FT-0770347; EU-0040062; BB 0221669; SR-01000449566
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) 218.28
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H10N2OS
IUPAC Name
N-(4-methyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES
CC1=CSC(=N1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2OS/c1-8-7-15-11(12-8)13-10(14)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)
InChIKey
NEPIZAVYXKHUCD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
695178
TTD ID
D01IMJ
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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 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) 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.