Drug Information

Drug General Information
Drug ID
D0A2YG
Former ID
DNC003141
Drug Name
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551374]
Structure
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2D MOL

3D MOL
Formula
C12H13NS
Canonical SMILES
CNCC1=CC=CC=C1C2=CC=CS2
InChI
1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3
InChIKey
MRKJJEJYTBOUTH-UHFFFAOYSA-N
PubChem Compound ID
7060565
PubChem Substance ID
43649471, 56229627, 76744220, 83098181, 84981896, 87620863, 99443667, 103691043, 104135722, 114853401, 125375139, 143462023, 144103867, 146474084, 160968280, 162205495, 162922867, 172853719, 174536285, 184603896, 196403737, 204363253, 249763134, 252455954
Target and Pathway
Target(s) Leukotriene A-4 hydrolase Target Info Inhibitor [551374]
BioCyc Pathway Leukotriene biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Arachidonic acid metabolism
Eicosanoid Synthesis
References
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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