Drug Information

Drug General Information
Drug ID
D0C0VP
Former ID
DNC003912
Drug Name
Cyclostellettamine derivative
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527058]
Structure
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2D MOL

3D MOL
Formula
C40H58F6N2O4
Canonical SMILES
C1CCCCCC[N+]2=CC=CC(=C2)CCCCCCC=CCCCCCC[N+]3=CC=CC(=C3)<br />CCCCC1.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]
InChI
1S/C36H58N2.2C2HF3O2/c1-2-5-9-13-17-21-29-37-31-24-28-36(34-37)26-20-16-12-8-4-6-10-14-18-22-30-38-32-23-27-35(33-38)25-19-15-11-7-3-1;2*3-2(4,5)1(6)7/h1-2,23-24,27-28,31-34H,3-22,25-26,29-30H2;2*(H,6,7)/q+2;;/p-2/b2-1+;;
InChIKey
LUAUOMZCZVKFMM-SEPHDYHBSA-L
PubChem Compound ID
23327627
Target and Pathway
Target(s) Histone Deacetylase 10 Target Info Inhibitor [527058]
Histone deacetylase 2 Target Info Inhibitor [527058]
Histone deacetylase Target Info Inhibitor [527058]
Histone deacetylase 4 Target Info Inhibitor [527058]
Histone deacetylase 6 Target Info Inhibitor [527058]
Histone deacetylase 1 Target Info Inhibitor [527058]
Histone Deacetylase 8 Target Info Inhibitor [527058]
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 leukemiahsa05034:Alcoholism
MicroRNAs in cancerhsa05034:Alcoholism
Viral carcinogenesishsa04110:Cell cycle
Amphetamine addiction
MicroRNAs in cancer
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 II
Signaling events mediated by HDAC Class Ismad2_3nuclearpathway: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 III
Sumoylation by RanBP2 regulates transcriptional repression
Validated nuclear estrogen receptor alpha networkhdac_classii_pathway:Signaling events mediated by HDAC Class II
Notch signaling pathway
E2F transcription factor network
Presenilin action in Notch and Wnt signaling
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_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-2122947:NOTCH1 Intracellular Domain Regulates Transcription
Constitutive Signaling by NOTCH1 HD+PEST Domain MutantsR-HSA-2122947:NOTCH1 Intracellular Domain Regulates Transcription
Assembly of the primary ciliumR-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
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 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 hypertrophyWP2858:Ectoderm Differentiation
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
Androgen receptor signaling pathwayWP2377:Integrated Pancreatic Cancer Pathway
References
Ref 527058Bioorg Med Chem Lett. 2004 May 17;14(10):2617-20.Three new cyclostellettamines, which inhibit histone deacetylase, from a marine sponge of the genus Xestospongia.
Ref 527058Bioorg Med Chem Lett. 2004 May 17;14(10):2617-20.Three new cyclostellettamines, which inhibit histone deacetylase, from a marine sponge of the genus Xestospongia.

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