Drug Information

Drug General Information
Drug ID
D0B3ZM
Former ID
DNC004804
Drug Name
6-Mercapto-hexanoic acid phenylamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527439]
Structure
Download
2D MOL

3D MOL
Formula
C12H17NOS
Canonical SMILES
C1=CC=C(C=C1)NC(=O)CCCCCS
InChI
1S/C12H17NOS/c14-12(9-5-2-6-10-15)13-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
InChIKey
IFUHTURYMZWNNJ-UHFFFAOYSA-N
PubChem Compound ID
11436024
Target and Pathway
Target(s) Histone Deacetylase 8 Target Info Inhibitor [527439]
Histone deacetylase 4 Target Info Inhibitor [527439]
Histone deacetylase 1 Target Info Inhibitor [527439]
Histone deacetylase 6 Target Info Inhibitor [527439]
Histone deacetylase Target Info Inhibitor [527439]
Histone deacetylase 2 Target Info Inhibitor [527439]
Histone Deacetylase 10 Target Info Inhibitor [527439]
KEGG Pathway Alcoholism
Viral carcinogenesishsa05034:Alcoholism
Epstein-Barr virus infection
Viral carcinogenesis
MicroRNAs in cancerhsa04110: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
Viral carcinogenesishsa04110:Cell cycle
Chronic myeloid leukemia
NetPath Pathway IL2 Signaling PathwayNetPath_11:TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
PANTHER Pathway Wnt signaling pathwayP00057:Wnt signaling pathway
p53 pathwayP00057:Wnt signaling pathway
Pathway Interaction Database Signaling events mediated by HDAC Class Ihdac_classii_pathway: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 networksmad2_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_classii_pathway:Signaling events mediated by HDAC Class II
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 Mutants
HDACs deacetylate histonesR-HSA-2122947:NOTCH1 Intracellular Domain Regulates Transcription
Constitutive Signaling by NOTCH1 HD+PEST Domain MutantsR-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
Assembly of the primary ciliumR-HSA-193670:p75NTR negatively regulates cell cycle via SC1
Factors involved in megakaryocyte development and platelet production
WikiPathways Integrated Pancreatic Cancer Pathway
Neural Crest 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
Cell Cycle
MicroRNAs in cardiomyocyte hypertrophyWP706: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 pathwayWP2858:Ectoderm Differentiation
Cell CycleWP61:Notch Signaling 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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