Drug General Information
Drug ID
D04HSS
Former ID
DNC004807
Drug Name
N-(6-Mercapto-hexyl)-benzamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527439]
Structure
Download
2D MOL

3D MOL

Formula
C13H19NOS
Canonical SMILES
C1=CC=C(C=C1)C(=O)NCCCCCCS
InChI
1S/C13H19NOS/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)
InChIKey
HCPPYAZFTICCOW-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Histone deacetylase 2 Target Info Inhibitor [527439]
Histone Deacetylase 10 Target Info Inhibitor [527439]
Histone deacetylase 1 Target Info Inhibitor [527439]
Histone deacetylase 6 Target Info Inhibitor [527439]
Histone deacetylase 4 Target Info Inhibitor [527439]
Histone deacetylase Target Info Inhibitor [527439]
Histone Deacetylase 8 Target Info Inhibitor [527439]
KEGG Pathway Cell cycle
Notch signaling pathway
Thyroid hormone signaling pathway
Huntington's disease
Alcoholism
Epstein-Barr virus infection
Pathways in cancer
Transcriptional misregulation in cancer
Viral carcinogenesis
Chronic myeloid leukemiahsa04110:Cell cycle
Amphetamine addiction
MicroRNAs in cancer
Chronic myeloid leukemiahsa05034:Alcoholism
Viral carcinogenesishsa05034:Alcoholism
MicroRNAs in cancerhsa05034:Alcoholism
NetPath Pathway TCR Signaling PathwayNetPath_11:TCR Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Wnt signaling pathwayP00057:Wnt signaling pathway
p53 pathwayP00057:Wnt signaling pathway
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling
Signaling events mediated by HDAC Class I
Regulation of Telomerase
Glucocorticoid receptor regulatory network
Direct p53 effectors
Hedgehog signaling events mediated by Gli proteins
Regulation of nuclear beta catenin signaling and target gene transcriptionhdac_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
Sumoylation by RanBP2 regulates transcriptional repression
Regulation of Androgen receptor activity
IL3-mediated signaling events
Validated nuclear estrogen receptor alpha network
Retinoic acid receptors-mediated signaling
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_classii_pathway:Signaling events mediated by HDAC Class II
Signaling events mediated by HDAC Class Ihdac_classii_pathway:Signaling events mediated by HDAC Class II
Signaling events mediated by HDAC Class III
Validated nuclear estrogen receptor alpha networkhdac_classi_pathway:Signaling events mediated by HDAC Class I
Reactome p75NTR negatively regulates cell cycle via SC1
NOTCH1 Intracellular Domain Regulates Transcription
Constitutive Signaling by NOTCH1 PEST Domain Mutants
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants
HDACs deacetylate histones
NoRC negatively regulates rRNA expression
RNA Polymerase I Transcription Initiation
Factors involved in megakaryocyte development and platelet productionR-HSA-1538133:G0 and Early G1
Formation of the beta-catenin:TCF transactivating complex
SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription
Deactivation of the beta-catenin transactivating complex
Factors involved in megakaryocyte development and platelet productionR-HSA-2122947:NOTCH1 Intracellular Domain Regulates Transcription
Assembly of the primary ciliumR-HSA-2122947:NOTCH1 Intracellular Domain Regulates Transcription
Constitutive Signaling by NOTCH1 HD+PEST Domain MutantsR-HSA-2122947:NOTCH1 Intracellular Domain Regulates Transcription
WikiPathways Notch Signaling Pathway
Notch Signaling Pathway
Neural Crest Differentiation
Signalling by NGF
RNA Polymerase I, RNA Polymerase III, and Mitochondrial Transcription
Factors involved in megakaryocyte development and platelet production
Cell CycleWP706:SIDS Susceptibility Pathways
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
Retinoblastoma (RB) in Cancer
TWEAK Signaling Pathway
Integrated Breast Cancer Pathway
Mitotic G1-G1/S phases
Cell Cycle
Androgen receptor signaling pathwayWP2858:Ectoderm Differentiation
Cell CycleWP474:Endochondral Ossification
Cardiac Hypertrophic Response
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
TarBasePathway
MicroRNAs in cardiomyocyte hypertrophyWP2377:Integrated Pancreatic Cancer Pathway
References
Ref 527439J Med Chem. 2005 Feb 24;48(4):1019-32.Novel inhibitors of human histone deacetylases: design, synthesis, enzyme inhibition, and cancer cell growth inhibition of SAHA-based non-hydroxamates.
Ref 527439J Med Chem. 2005 Feb 24;48(4):1019-32.Novel inhibitors of human histone deacetylases: design, synthesis, enzyme inhibition, and cancer cell growth inhibition of SAHA-based non-hydroxamates.

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