Drug Information

Drug General Information
Drug ID
DXY2CA
Drug Name
CHEMBL1794808
Synonyms
4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (1R,2S,4S)-4-hydroxy-2-(4-hydroxy-benzoylamino)-cyclopentyl ester; compound with 4-(2-carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (1R,2S,4R)-4-hydroxy-2-(4-hydroxy-benzoylamino)-cyclopentyl ester
Indication Discovery agent Investigative [1587926]
Formula
C54H46N2O22
Canonical SMILES
O[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c3cc(O)c(C(=O)c4c(O)cccc4C(=O)O)c(O)c3.O[C@H]5C[C@H](NC(=O)c6ccc(O)cc6)[C@@H](C5)OC(=O)c7cc(O)c(C(=O)c8c(O)cccc8C(=O)O)c(O)c7
InChI
InChI=1S/2C27H23NO11/c2*29-14-6-4-12(5-7-14)25(35)28-17-10-15(30)11-21(17)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h2*1-9,15,17,21,29-33H,10-11H2,(H,28,35)(H,36,37)/t15-,17+,21-;15-,17-,21+/m10/s1
InChIKey
PJCGGXOMTFXJTG-WLWAFDKFSA-N
Target and Pathway
Target(s) Protein kinase C, alpha type Target Info [1587926]
Protein kinase C, delta type Target Info [1587926]
KEGG Pathway MAPK signaling pathway
ErbB signaling pathway
Ras signaling pathway
Rap1 signaling pathway
Calcium signaling pathway
HIF-1 signaling pathway
Phosphatidylinositol signaling system
Sphingolipid signaling pathway
mTOR signaling pathway
PI3K-Akt signaling pathway
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Wnt signaling pathway
VEGF signaling pathway
Focal adhesion
Tight junction
Gap junction
Natural killer cell mediated cytotoxicity
Fc epsilon RI signaling pathway
Fc gamma R-mediated phagocytosis
Leukocyte transendothelial migration
Circadian entrainment
Long-term potentiation
Retrograde endocannabinoid signaling
Glutamatergic synapse
Cholinergic synapse
Serotonergic synapse
GABAergic synapse
Dopaminergic synapse
Long-term depression
Inflammatory mediator regulation of TRP channels
Insulin secretion
GnRH signaling pathway
Melanogenesis
Thyroid hormone synthesis
Thyroid hormone signaling pathway
Oxytocin signaling pathway
Aldosterone-regulated sodium reabsorption
Endocrine and other factor-regulated calcium reabsorption
Salivary secretion
Gastric acid secretion
Pancreatic secretion
Amphetamine addiction
Morphine addiction
Vibrio cholerae infection
Pathogenic Escherichia coli infection
African trypanosomiasis
Amoebiasis
Hepatitis B
Influenza A
Pathways in cancer
Proteoglycans in cancer
MicroRNAs in cancer
Glioma
Non-small cell lung cancer
Choline metabolism in cancerhsa04062:Chemokine signaling pathway
Neurotrophin signaling pathway
Estrogen signaling pathway
Type II diabetes mellitus
NetPath Pathway IL2 Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Alpha adrenergic receptor signaling pathway
Alzheimer disease-amyloid secretase pathway
Angiogenesis
Apoptosis signaling pathway
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
PDGF 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
Angiotensin II-stimulated signaling through G proteins and beta-arrestin
CCKR signaling map STP00002:Alpha adrenergic receptor signaling pathway
B cell activation
CCKR signaling map ST
Pathway Interaction Database Endothelins
TCR signaling in na&#xef
Canonical NF-kappaB pathway
Signaling events regulated by Ret tyrosine kinase
TCR signaling in na&#xef
Thromboxane A2 receptor signaling
Role of Calcineurin-dependent NFAT signaling in lymphocytes
mTOR signaling pathway
Ras signaling in the CD4+ TCR pathway
ErbB1 downstream signaling
Syndecan-4-mediated signaling events
ATF-2 transcription factor network
PDGFR-beta signaling pathway
Retinoic acid receptors-mediated signaling
IL8- and CXCR2-mediated signaling events
VEGFR1 specific signals
Signaling events mediated by VEGFR1 and VEGFR2
PAR1-mediated thrombin signaling events
a6b1 and a6b4 Integrin signaling
IL8- and CXCR1-mediated signaling events
Regulation of Ras family activation
Downstream signaling in na&#xef
Endothelins
LPA receptor mediated events
IGF1 pathway
Ceramide signaling pathway
IFN-gamma pathway
IL6-mediated signaling events
Hedgehog signaling events mediated by Gli proteins
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
PathWhiz Pathway Fc Epsilon Receptor I Signaling in Mast Cells
Activation of PKC through G protein coupled receptor
Reactome Calmodulin induced events
Disinhibition of SNARE formation
Regulation of KIT signaling
EGFR Transactivation by Gastrin
Inactivation, recovery and regulation of the phototransduction cascade
Syndecan interactions
Acetylcholine regulates insulin secretion
Ca2+ pathway
Trafficking of GluR2-containing AMPA receptors
G alpha (z) signalling events
Depolymerisation of the Nuclear Lamina
HuR (ELAVL1) binds and stabilizes mRNA
WNT5A-dependent internalization of FZD4
VEGFR2 mediated cell proliferation
Response to elevated platelet cytosolic Ca2+R-HSA-111465:Apoptotic cleavage of cellular proteins
Effects of PIP2 hydrolysis
DAG and IP3 signaling
Role of phospholipids in phagocytosis
CLEC7A (Dectin-1) signaling
Interferon gamma signaling
WikiPathways ErbB Signaling Pathway
Calcium Regulation in the Cardiac Cell
Insulin Signaling
EGF/EGFR Signaling Pathway
Wnt Signaling Pathway
Wnt Signaling Pathway and Pluripotency
Wnt Signaling Pathway Netpath
G Protein Signaling Pathways
Kit receptor signaling pathway
Transcriptional activation by NRF2
Myometrial Relaxation and Contraction Pathways
Human Complement System
Cardiac Hypertrophic Response
Syndecan interactions
Regulation of mRNA Stability by Proteins that Bind AU-rich Elements
Signaling by SCF-KIT
DAG and IP3 signaling
Gastrin-CREB signalling pathway via PKC and MAPK
T-Cell Receptor and Co-stimulatory Signaling
Alpha 6 Beta 4 signaling pathway
Spinal Cord Injury
Integrated Pancreatic Cancer Pathway
Oncostatin M Signaling Pathway
Corticotropin-releasing hormone
AGE/RAGE pathway
Pathogenic Escherichia coli infection
Signaling Pathways in Glioblastoma
Endothelin Pathways
Regulation of Microtubule Cytoskeleton
FSH signaling pathway
miRs in Muscle Cell Differentiation
Opioid Signalling
Response to elevated platelet cytosolic Ca2+
Integration of energy metabolism
TOR SignalingWP69:TCR Signaling Pathway
Type II interferon signaling (IFNG)
MAPK Signaling Pathway
IL-6 signaling pathway
BDNF signaling pathway
B Cell Receptor Signaling Pathway
GPCR downstream signaling
Effects of PIP2 hydrolysis
Apoptotic execution phase
Type II diabetes mellitus
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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