Drug Information

Drug General Information
Drug ID
D02DDI
Former ID
DNC006874
Drug Name
KYS-05064
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528504]
Structure
Download
2D MOL

3D MOL
Formula
C31H37N5O3S
Canonical SMILES
CCN1C(C2=CC=CC=C2N=C1N3CCCCC3)CC(=O)NCC4=CC=C(C=C4)NS(=<br />O)(=O)C5=CC=C(C=C5)C
InChI
1S/C31H37N5O3S/c1-3-36-29(27-9-5-6-10-28(27)33-31(36)35-19-7-4-8-20-35)21-30(37)32-22-24-13-15-25(16-14-24)34-40(38,39)26-17-11-23(2)12-18-26/h5-6,9-18,29,34H,3-4,7-8,19-22H2,1-2H3,(H,32,37)
InChIKey
AAULUGZZFCAQJP-UHFFFAOYSA-N
PubChem Compound ID
11964508
Target and Pathway
Target(s) Voltage-dependent T-type calcium channel alpha-1G subunit Target Info Inhibitor [528504]
KEGG Pathway MAPK signaling pathway
Calcium signaling pathway
Circadian entrainment
Type II diabetes mellitus
PANTHER Pathway Endogenous cannabinoid signaling
GABA-B receptor II signaling
Nicotine pharmacodynamics pathway
Pathway Interaction Database Regulation of nuclear beta catenin signaling and target gene transcription
PathWhiz Pathway Muscle/Heart Contraction
Reactome NCAM1 interactions
WikiPathways NCAM signaling for neurite out-growth
Nicotine Activity on Chromaffin Cells
References
Ref 528504Bioorg Med Chem. 2007 Jan 15;15(2):1091-105. Epub 2006 Oct 30.3D pharmacophore based virtual screening of T-type calcium channel blockers.
Ref 528504Bioorg Med Chem. 2007 Jan 15;15(2):1091-105. Epub 2006 Oct 30.3D pharmacophore based virtual screening of T-type calcium channel blockers.

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