Drug Information

Drug General Information
Drug ID
D09KGD
Former ID
DNC003143
Drug Name
N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551374]
Structure
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2D MOL

3D MOL
Formula
C18H22N2O
Canonical SMILES
C1CC(NC1)COC2=CC=C(C=C2)NCC3=CC=CC=C3
InChI
1S/C18H22N2O/c1-2-5-15(6-3-1)13-20-16-8-10-18(11-9-16)21-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19-20H,4,7,12-14H2/t17-/m1/s1
InChIKey
HITMFLNAOQIZSN-QGZVFWFLSA-N
PubChem Compound ID
44129620
PubChem Substance ID
84981916, 85235974, 89927674, 99443731, 103687606, 104135714, 134346953, 141655746, 160968343, 224089364, 230255625, 245291574
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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