Drug Information

Drug General Information
Drug ID
DXW9X4
Drug Name
Octanoic acid (E)-(1S,5S,9S,11S,15R,19R,24S)-11-tert-butyl-1,15-dihydroxy-19-((R)-1-hydroxy-ethyl)-23-methoxycarbonylmethylene-2,2-dimethyl-17-oxo-6,12,18,25,26-pentaoxa-tricyclo[19.3.1.1*5,9*]hexacos-3-en-24-yl ester
Synonyms
CHEMBL45053
Indication Discovery agent Investigative [1587926]
Formula
C40H66O13
Canonical SMILES
CCCCCCCC(=O)O[C@H]1\\C(=C\\C(=O)OC)\\CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\\C=C\\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O
InChI
InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
InChIKey
BJNQKVADRDIKFO-GTFOYZODSA-N
Target and Pathway
Target(s) Protein kinase C, delta type Target Info [1587926]
Protein kinase C, theta type Target Info [1587926]
KEGG Pathway Chemokine signaling pathway
Vascular smooth muscle contraction
Tight junction
Fc epsilon RI signaling pathway
Fc gamma R-mediated phagocytosis
Neurotrophin signaling pathway
Inflammatory mediator regulation of TRP channels
GnRH signaling pathway
Estrogen signaling pathway
Type II diabetes mellitushsa04064:NF-kappa B signaling pathway
T cell receptor signaling pathway
Adipocytokine signaling pathway
Measles
NetPath Pathway IL2 Signaling Pathway
PANTHER Pathway Alpha adrenergic receptor signaling pathway
Alzheimer disease-amyloid secretase pathway
Angiogenesis
Apoptosis signaling pathway
B cell activation
EGF receptor signaling pathway
Endothelin signaling pathway
FGF signaling pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Muscarinic acetylcholine receptor 1 and 3 signaling pathway
VEGF signaling pathway
Wnt signaling pathway
5HT2 type receptor mediated signaling pathway
Histamine H1 receptor mediated signaling pathway
Oxytocin receptor mediated signaling pathway
Thyrotropin-releasing hormone receptor signaling pathway
CCKR signaling map STP00003:Alzheimer disease-amyloid secretase pathway
T cell activation
CCKR signaling map ST
Pathway Interaction Database Endothelins
LPA receptor mediated events
Thromboxane A2 receptor signaling
Role of Calcineurin-dependent NFAT signaling in lymphocytes
IGF1 pathway
Ceramide signaling pathway
IFN-gamma pathway
ErbB1 downstream signaling
Syndecan-4-mediated signaling events
IL6-mediated signaling events
PDGFR-beta signaling pathway
Hedgehog signaling events mediated by Gli proteins
Signaling events mediated by VEGFR1 and VEGFR2
PAR1-mediated thrombin signaling events
Syndecan-2-mediated signaling events
Validated transcriptional targets of TAp63 isoforms
p53 pathway
Trk receptor signaling mediated by the MAPK pathway
Trk receptor signaling mediated by PI3K and PLC-gamma
Alpha-synuclein signalingendothelinpathway:Endothelins
TCR signaling in na&#xef
Calcineurin-regulated NFAT-dependent transcription in lymphocytes
TCR signaling in na&#xef
Downstream signaling in na&#xef
Reactome Apoptotic cleavage of cellular proteins
Calmodulin induced events
Effects of PIP2 hydrolysis
DAG and IP3 signaling
Role of phospholipids in phagocytosis
G alpha (z) signalling events
HuR (ELAVL1) binds and stabilizes mRNA
VEGFR2 mediated cell proliferation
CLEC7A (Dectin-1) signaling
Interferon gamma signalingR-HSA-111465:Apoptotic cleavage of cellular proteins
Inactivation, recovery and regulation of the phototransduction cascade
FCERI mediated NF-kB activation
WikiPathways TCR Signaling Pathway
Type II interferon signaling (IFNG)
Calcium Regulation in the Cardiac Cell
Insulin Signaling
EGF/EGFR Signaling Pathway
Wnt Signaling Pathway
Wnt Signaling Pathway and Pluripotency
MAPK Signaling Pathway
IL-6 signaling pathway
G Protein Signaling Pathways
Myometrial Relaxation and Contraction Pathways
Regulation of mRNA Stability by Proteins that Bind AU-rich Elements
DAG and IP3 signaling
Alpha 6 Beta 4 signaling pathway
BDNF signaling pathway
Oncostatin M Signaling Pathway
Corticotropin-releasing hormone
AGE/RAGE pathway
B Cell Receptor Signaling Pathway
Signaling Pathways in Glioblastoma
miRs in Muscle Cell Differentiation
Opioid Signalling
GPCR downstream signaling
Effects of PIP2 hydrolysis
Apoptotic execution phase
Type II diabetes mellitusWP69:TCR Signaling Pathway
Fc epsilon receptor (FCERI) signaling
TCR signaling
Netrin-1 signaling
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

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