Drug Information

Drug General Information
Drug ID
D0H1FZ
Former ID
DNC008318
Drug Name
2-(methylsulfonylthio)ethyl 2-propylpentanoate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529333]
Structure
Download
2D MOL

3D MOL
Formula
C11H22O4S2
Canonical SMILES
CCCC(CCC)C(=O)OCCSS(=O)(=O)C
InChI
1S/C11H22O4S2/c1-4-6-10(7-5-2)11(12)15-8-9-16-17(3,13)14/h10H,4-9H2,1-3H3
InChIKey
ZHKBCGORMGLCBI-UHFFFAOYSA-N
PubChem Compound ID
24759251
Target and Pathway
Target(s) Histone deacetylase 4 Target Info Inhibitor [529333]
Histone deacetylase 6 Target Info Inhibitor [529333]
Histone deacetylase 1 Target Info Inhibitor [529333]
Histone deacetylase Target Info Inhibitor [529333]
Histone Deacetylase 8 Target Info Inhibitor [529333]
Histone deacetylase 2 Target Info Inhibitor [529333]
Histone Deacetylase 10 Target Info Inhibitor [529333]
KEGG Pathway Alcoholism
Epstein-Barr virus infection
Viral carcinogenesis
MicroRNAs in cancerhsa05034:Alcoholism
Viral carcinogenesishsa04110:Cell cycle
Notch signaling pathway
Thyroid hormone signaling pathway
Huntington's disease
Amphetamine addiction
Pathways in cancer
Transcriptional misregulation in cancer
MicroRNAs in cancer
Chronic myeloid leukemiahsa05034:Alcoholism
Chronic myeloid leukemia
NetPath Pathway IL2 Signaling PathwayNetPath_11:TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
PANTHER Pathway Wnt signaling pathway
p53 pathwayP00057:Wnt signaling pathwayP00057:Wnt signaling pathway
Pathway Interaction Database Signaling events mediated by HDAC Class II
Signaling events mediated by HDAC Class III
Signaling events mediated by HDAC Class I
Sumoylation by RanBP2 regulates transcriptional repression
Validated nuclear estrogen receptor alpha networkhdac_classii_pathway:Signaling events mediated by HDAC Class II
Signaling events mediated by HDAC Class Ismad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
Notch signaling pathway
E2F transcription factor network
Presenilin action in Notch and Wnt signaling
Regulation of Telomerase
Glucocorticoid receptor regulatory network
Regulation of Androgen receptor activity
IL3-mediated signaling events
Validated nuclear estrogen receptor alpha network
Retinoic acid receptors-mediated signaling
Hedgehog signaling events mediated by Gli proteins
Regulation of nuclear beta catenin signaling and target gene transcription
Validated targets of C-MYC transcriptional repression
Regulation of retinoblastoma protein
Notch-mediated HES/HEY networkhdac_classi_pathway:Signaling events mediated by HDAC Class Ismad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
Direct p53 effectors
Regulation of nuclear beta catenin signaling and target gene transcriptionhdac_classii_pathway:Signaling events mediated by HDAC Class II
Reactome NOTCH1 Intracellular Domain Regulates Transcription
Constitutive Signaling by NOTCH1 PEST Domain Mutants
Constitutive Signaling by NOTCH1 HD+PEST Domain MutantsR-HSA-2122947:NOTCH1 Intracellular Domain Regulates Transcription
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants
Assembly of the primary ciliumR-HSA-1538133:G0 and Early G1
p75NTR negatively regulates cell cycle via SC1
Formation of the beta-catenin:TCF transactivating complex
SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription
HDACs deacetylate histones
Deactivation of the beta-catenin transactivating complex
NoRC negatively regulates rRNA expression
RNA Polymerase I Transcription Initiation
Factors involved in megakaryocyte development and platelet productionR-HSA-2122947:NOTCH1 Intracellular Domain Regulates Transcription
HDACs deacetylate histonesR-HSA-193670:p75NTR negatively regulates cell cycle via SC1
Factors involved in megakaryocyte development and platelet production
WikiPathways Endochondral Ossification
Cardiac Hypertrophic Response
Neural Crest Differentiation
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
TarBasePathway
Cell Cycle
MicroRNAs in cardiomyocyte hypertrophyWP2858:Ectoderm Differentiation
Cell CycleWP706:SIDS Susceptibility Pathways
Notch Signaling Pathway
TGF beta Signaling Pathway
IL-6 signaling pathway
Apoptosis-related network due to altered Notch3 in ovarian cancer
Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer
Notch Signaling Pathway
Retinoblastoma (RB) in Cancer
TWEAK Signaling Pathway
Integrated Breast Cancer Pathway
Signalling by NGF
RNA Polymerase I, RNA Polymerase III, and Mitochondrial Transcription
Mitotic G1-G1/S phases
Factors involved in megakaryocyte development and platelet production
Androgen receptor signaling pathwayWP2377:Integrated Pancreatic Cancer Pathway
Cell CycleWP61:Notch Signaling Pathway
References
Ref 529333Bioorg Med Chem Lett. 2008 Mar 15;18(6):1893-7. Epub 2008 Feb 8.New sulfurated derivatives of valproic acid with enhanced histone deacetylase inhibitory activity.
Ref 529333Bioorg Med Chem Lett. 2008 Mar 15;18(6):1893-7. Epub 2008 Feb 8.New sulfurated derivatives of valproic acid with enhanced histone deacetylase inhibitory activity.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.