Drug Information

Drug General Information
Drug ID
D06ZPI
Former ID
DNC003486
Drug Name
N-Methylnaloxonium
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551391]
Structure
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2D MOL

3D MOL
Formula
C20H24NO4+
Canonical SMILES
C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC=C
InChI
1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21-/m1/s1
InChIKey
PCSQOABIHJXZMR-YNUHATHGSA-O
PubChem Compound ID
6323452
PubChem Substance ID
7889425, 42972693, 46508658, 57365626, 75041284, 160967514
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [551391]
KEGG Pathway Drug metabolism - other enzymes
Metabolic pathways
Pathway Interaction Database E2F transcription factor network
WikiPathways NRF2 pathway
Nuclear Receptors Meta-Pathway
Heroin metabolism
Irinotecan Pathway
Fluoropyrimidine Activity
Phase I biotransformations, non P450
References
Ref 551391DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-4. Nucleic Acids Res. 2011 January
Ref 551391DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-4. Nucleic Acids Res. 2011 January

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