Drug Information

Drug General Information
Drug ID
D0G3BJ
Former ID
DNC011438
Drug Name
Ingenol-3-bezoate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526058]
Structure
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2D MOL

3D MOL
Formula
C27H32O6
Canonical SMILES
CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=CC=CC=<br />C5)C)O)O)CO
InChI
1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20+,21-,23+,26?,27+/m1/s1
InChIKey
VYLJAGRINUHTSF-KTOZFIMGSA-N
PubChem Compound ID
44292399
Target and Pathway
Target(s) Protein kinase C, delta type Target Info Inhibitor [526058]
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 mellitus
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 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 signaling
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 signaling
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 mellitus
References
Ref 526058J Med Chem. 2001 May 24;44(11):1690-701.Structural basis of binding of high-affinity ligands to protein kinase C: prediction of the binding modes through a new molecular dynamics method and evaluation by site-directed mutagenesis.
Ref 526058J Med Chem. 2001 May 24;44(11):1690-701.Structural basis of binding of high-affinity ligands to protein kinase C: prediction of the binding modes through a new molecular dynamics method and evaluation by site-directed mutagenesis.

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