Drug Information

Drug General Information
Drug ID
D0AX7B
Former ID
DNC003661
Drug Name
8-(Biphenyl-4-yloxy)-1,1,1-trifluoro-octan-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526871]
Structure
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2D MOL

3D MOL
Formula
C20H21F3O2
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCC(=O)C(F)(F)F
InChI
1S/C20H21F3O2/c21-20(22,23)19(24)10-6-1-2-7-15-25-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14H,1-2,6-7,10,15H2
InChIKey
LRVOZKXSFOOZRP-UHFFFAOYSA-N
PubChem Compound ID
44341053
Target and Pathway
Target(s) Histone Deacetylase 8 Target Info Inhibitor [526871]
Histone deacetylase Target Info Inhibitor [526871]
Histone deacetylase 1 Target Info Inhibitor [526450]
Histone deacetylase 6 Target Info Inhibitor [526871]
Histone deacetylase 4 Target Info Inhibitor [526871]
Histone Deacetylase 10 Target Info Inhibitor [526871]
Histone deacetylase 2 Target Info Inhibitor [526450]
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
Viral carcinogenesishsa05034:Alcoholism
MicroRNAs in cancerhsa04110:Cell cycle
Chronic myeloid leukemia
NetPath Pathway TCR Signaling PathwayNetPath_14:IL2 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 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 Ihdac_classii_pathway:Signaling events mediated by HDAC Class II
Signaling events mediated by HDAC Class III
Validated nuclear estrogen receptor alpha networkhdac_classii_pathway:Signaling events mediated by HDAC Class II
Direct p53 effectors
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-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-2122947:NOTCH1 Intracellular Domain Regulates Transcription
Constitutive Signaling by NOTCH1 HD+PEST Domain MutantsR-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 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 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 hypertrophyWP61:Notch Signaling Pathway
References
Ref 526871Bioorg Med Chem Lett. 2003 Nov 17;13(22):3909-13.Heterocyclic ketones as inhibitors of histone deacetylase.
Ref 526450Bioorg Med Chem Lett. 2002 Dec 2;12(23):3443-7.Trifluoromethyl ketones as inhibitors of histone deacetylase.
Ref 526871Bioorg Med Chem Lett. 2003 Nov 17;13(22):3909-13.Heterocyclic ketones as inhibitors of histone deacetylase.

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