Drug General Information
Drug ID
D0H2NT
Former ID
DNC012113
Drug Name
MK-056
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530533]
Structure
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2D MOL

3D MOL

Formula
C20H27N3O2S2
Canonical SMILES
CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C
InChI
1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
InChIKey
LOMAEJPLJSUBML-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Transient receptor potential cation channel subfamily V member 4 Target Info Inhibitor [526897]
Vanilloid receptor 1 Target Info Inhibitor [530533]
Vanilloid receptor Target Info Inhibitor [530533]
KEGG Pathway Inflammatory mediator regulation of TRP channelshsa04080:Neuroactive ligand-receptor interaction
Inflammatory mediator regulation of TRP channels
NetPath Pathway IL2 Signaling Pathway
Pathway Interaction Database Trk receptor signaling mediated by the MAPK pathway
Trk receptor signaling mediated by PI3K and PLC-gamma
Reactome TRP channelsR-HSA-3295583:TRP channels
References
Ref 530533Bioorg Med Chem. 2010 Jan 1;18(1):111-6. Epub 2009 Nov 10.Silicon switch approach in TRPV1 antagonist MK-056 and its analogues.
Ref 526897Bioorg Med Chem Lett. 2003 Dec 15;13(24):4389-93.Novel non-vanilloid VR1 antagonist of high analgesic effects and its structural requirement for VR1 antagonistic effects.
Ref 530533Bioorg Med Chem. 2010 Jan 1;18(1):111-6. Epub 2009 Nov 10.Silicon switch approach in TRPV1 antagonist MK-056 and its analogues.

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