Drug Information

Drug General Information
Drug ID
D0QO0L
Former ID
DNC005417
Drug Name
N-Hydroxy-4-((S)-2-phenyl-butyrylamino)-benzamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527691]
Structure
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2D MOL

3D MOL
Formula
C17H18N2O3
Canonical SMILES
CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
InChI
1S/C17H18N2O3/c1-2-15(12-6-4-3-5-7-12)17(21)18-14-10-8-13(9-11-14)16(20)19-22/h3-11,15,22H,2H2,1H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKey
SPLALNOEMVSHPJ-HNNXBMFYSA-N
PubChem Compound ID
11312563
Target and Pathway
Target(s) Histone deacetylase 6 Target Info Inhibitor [527691]
Histone deacetylase 1 Target Info Inhibitor [527691]
Histone deacetylase 4 Target Info Inhibitor [527691]
Histone deacetylase Target Info Inhibitor [527691]
Histone Deacetylase 8 Target Info Inhibitor [527691]
Histone deacetylase 2 Target Info Inhibitor [527691]
Histone Deacetylase 10 Target Info Inhibitor [527691]
KEGG Pathway Alcoholism
Viral carcinogenesishsa04110:Cell cycle
Notch signaling pathway
Thyroid hormone signaling pathway
Huntington's disease
Amphetamine addiction
Epstein-Barr virus infection
Pathways in cancer
Transcriptional misregulation in cancer
Viral carcinogenesis
MicroRNAs in cancer
Chronic myeloid leukemiahsa05034:Alcoholism
MicroRNAs in cancerhsa05034:Alcoholism
Chronic myeloid leukemia
NetPath Pathway TCR Signaling PathwayNetPath_14:IL2 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 Ismad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
Notch signaling pathway
E2F transcription factor network
Presenilin action in Notch and Wnt signaling
Signaling events mediated by HDAC Class I
Regulation of Telomerase
Glucocorticoid receptor regulatory network
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
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 III
Validated nuclear estrogen receptor alpha 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 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
Constitutive Signaling by NOTCH1 HD+PEST Domain MutantsR-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 Ectoderm Differentiation
Neural Crest 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
Cell Cycle
Androgen receptor signaling pathwayWP474: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
Cell CycleWP61:Notch Signaling Pathway
References
Ref 527691J Med Chem. 2005 Aug 25;48(17):5530-5.Structure-based optimization of phenylbutyrate-derived histone deacetylase inhibitors.
Ref 527691J Med Chem. 2005 Aug 25;48(17):5530-5.Structure-based optimization of phenylbutyrate-derived histone deacetylase inhibitors.

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