Drug Information

Drug General Information
Drug ID
DX6IUD
Drug Name
Octanethioic acid S-[(E)-4-((5R,8S,11S)-5-benzyl-8-isopropyl-6,9,13-trioxo-10-oxa-3,17-dithia-7,14,19,20-tetraaza-tricyclo[14.2.1.1*2,5*]icosa-1(18),2(20),16(19)-trien-11-yl)-but-3-enyl]ester
Synonyms
CHEMBL1171466
Indication Discovery agent Investigative [1587926]
Formula
C35H46N4O5S3
Canonical SMILES
CCCCCCCC(=O)SCC\\C=C\\[C@@H]1CC(=O)NCc2nc(cs2)C3=N[C@@](Cc4ccccc4)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1
InChI
InChI=1S/C35H46N4O5S3/c1-4-5-6-7-11-17-30(41)45-18-13-12-16-26-19-28(40)36-21-29-37-27(22-46-29)32-39-35(23-47-32,20-25-14-9-8-10-15-25)34(43)38-31(24(2)3)33(42)44-26/h8-10,12,14-16,22,24,26,31H,4-7,11,13,17-21,23H2,1-3H3,(H,36,40)(H,38,43)/b16-12+/t26-,31+,35+/m1/s1
InChIKey
VRSPHWOZMHPVOQ-BWBAVGLMSA-N
Target and Pathway
Target(s) Histone deacetylase 1 Target Info [1587926]
Histone deacetylase 4 Target Info [1587926]
KEGG Pathway Cell cycle
Notch signaling pathway
Thyroid hormone signaling pathway
Huntington's disease
Amphetamine addiction
Alcoholism
Epstein-Barr virus infection
Pathways in cancer
Transcriptional misregulation in cancer
Viral carcinogenesis
MicroRNAs in cancer
Chronic myeloid leukemiahsa05034:Alcoholism
NetPath Pathway TCR Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Wnt signaling pathway
p53 pathway
Pathway Interaction Database 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
Reactome G0 and Early G1
p75NTR negatively regulates cell cycle via SC1
Formation of the beta-catenin:TCF transactivating complex
NOTCH1 Intracellular Domain Regulates Transcription
SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription
Constitutive Signaling by NOTCH1 PEST Domain Mutants
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants
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
WikiPathways 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
Neural Crest Differentiation
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 hypertrophy
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.