Drug Information

Drug General Information
Drug ID
DXL9UL
Drug Name
2-Acetylamino-3-{2-[3-(2-acetylamino-2-benzylcarbamoyl-ethyl)-1H-indol-2-yldisulfanyl]-1H-indol-3-yl}-N-benzyl-propionamide
Synonyms
CHEMBL346716
Indication Discovery agent Investigative [1587926]
Formula
C40H40N6O4S2
Canonical SMILES
CC(=O)NC(Cc1c(SSc2[nH]c3ccccc3c2CC(NC(=O)C)C(=O)NCc4ccccc4)[nH]c5ccccc15)C(=O)NCc6ccccc6
InChI
InChI=1S/C40H40N6O4S2/c1-25(47)43-35(37(49)41-23-27-13-5-3-6-14-27)21-31-29-17-9-11-19-33(29)45-39(31)51-52-40-32(30-18-10-12-20-34(30)46-40)22-36(44-26(2)48)38(50)42-24-28-15-7-4-8-16-28/h3-20,35-36,45-46H,21-24H2,1-2H3,(H,41,49)(H,42,50)(H,43,47)(H,44,48)
InChIKey
MTTNYIXYAZMASA-UHFFFAOYSA-N
Target and Pathway
Target(s) Epidermal growth factor receptor Target Info [1587926]
Proto-oncogene tyrosine-protein kinase SRC Target Info [1587926]
KEGG Pathway MAPK signaling pathway
ErbB signaling pathway
Ras signaling pathway
Rap1 signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
HIF-1 signaling pathway
FoxO signaling pathway
Endocytosis
PI3K-Akt signaling pathway
Dorso-ventral axis formation
Focal adhesion
Adherens junction
Gap junction
Regulation of actin cytoskeleton
GnRH signaling pathway
Estrogen signaling pathway
Oxytocin signaling pathway
Epithelial cell signaling in Helicobacter pylori infection
Hepatitis C
Pathways in cancer
Proteoglycans in cancer
MicroRNAs in cancer
Pancreatic cancer
Endometrial cancer
Glioma
Prostate cancer
Melanoma
Bladder cancer
Non-small cell lung cancer
Central carbon metabolism in cancer
Choline metabolism in cancerhsa04012:ErbB signaling pathway
Chemokine signaling pathway
VEGF signaling pathway
Tight junction
Platelet activation
GABAergic synapse
Inflammatory mediator regulation of TRP channels
Prolactin signaling pathway
Thyroid hormone signaling pathway
Bacterial invasion of epithelial cells
Shigellosis
Tuberculosis
Hepatitis B
Viral carcinogenesis
NetPath Pathway IL4 Signaling Pathway
EGFR1 Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Cadherin signaling pathway
EGF receptor signaling pathwayP00005:Angiogenesis
Integrin signalling pathway
Parkinson disease
CCKR signaling map ST
Pathway Interaction Database LPA receptor mediated events
Signaling events mediated by PTP1B
Arf6 signaling events
Signaling events mediated by TCPTP
Thromboxane A2 receptor signaling
SHP2 signaling
Regulation of Telomerase
EGF receptor (ErbB1) signaling pathway
EGFR-dependent Endothelin signaling events
Posttranslational regulation of adherens junction stability and dissassembly
Direct p53 effectors
ErbB1 downstream signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
E-cadherin signaling in keratinocytes
ErbB receptor signaling network
Internalization of ErbB1
Stabilization and expansion of the E-cadherin adherens junction
a6b1 and a6b4 Integrin signaling
Syndecan-3-mediated signaling eventsendothelinpathway:Endothelins
Signaling events mediated by PRL
Atypical NF-kappaB pathway
Glypican 1 network
Plasma membrane estrogen receptor signaling
Signaling events mediated by Hepatocyte Growth Factor Receptor (c-Met)
S1P3 pathway
EPHB forward signaling
Nectin adhesion pathway
Regulation of p38-alpha and p38-beta
CDC42 signaling events
Signaling events regulated by Ret tyrosine kinase
FAS (CD95) signaling pathway
Netrin-mediated signaling events
Alpha9 beta1 integrin signaling events
CXCR4-mediated signaling events
Class I PI3K signaling events
Regulation of Androgen receptor activity
E-cadherin signaling in the nascent adherens junction
amb2 Integrin signaling
Integrins in angiogenesis
ErbB2/ErbB3 signaling events
EPHA forward signaling
PDGFR-beta signaling pathway
Nongenotropic Androgen signaling
CXCR3-mediated signaling events
Signaling events mediated by VEGFR1 and VEGFR2
Syndecan-2-mediated signaling events
Class I PI3K signaling events mediated by Akt
Syndecan-3-mediated signaling events
Ephrin B reverse signaling
Trk receptor signaling mediated by PI3K and PLC-gamma
EPHA2 forward signaling
Alpha-synuclein signaling
FGF signaling pathway
Alpha4 beta1 integrin signaling events
Signaling events mediated by focal adhesion kinase
Reactome Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants
SHC1 events in ERBB2 signaling
PLCG1 events in ERBB2 signaling
PIP3 activates AKT signaling
GRB2 events in EGFR signaling
GAB1 signalosome
SHC1 events in EGFR signaling
EGFR downregulation
GRB2 events in ERBB2 signaling
PI3K events in ERBB2 signaling
EGFR Transactivation by Gastrin
Constitutive Signaling by Aberrant PI3K in Cancer
Constitutive Signaling by EGFRvIII
RAF/MAP kinase cascade
WikiPathways ErbB Signaling Pathway
Regulation of Actin Cytoskeleton
EGF/EGFR Signaling Pathway
MAPK Signaling Pathway
Focal Adhesion
Aryl Hydrocarbon Receptor Pathway
Extracellular vesicle-mediated signaling in recipient cells
TCA Cycle Nutrient Utilization and Invasiveness of Ovarian Cancer
Hair Follicle Development: Cytodifferentiation (Part 3 of 3)
Bladder Cancer
Hair Follicle Development: Induction (Part 1 of 3)
Signaling by ERBB4
Signaling by ERBB2
Gastrin-CREB signalling pathway via PKC and MAPK
PIP3 activates AKT signaling
Nanoparticle-mediated activation of receptor signaling
Aryl Hydrocarbon Receptor
Spinal Cord Injury
Integrated Pancreatic Cancer Pathway
Gastric cancer network 2
AGE/RAGE pathway
Signaling Pathways in Glioblastoma
Arylhydrocarbon receptor (AhR) signaling pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
Integrated Breast Cancer Pathway
Signaling by EGFR
L1CAM interactionsWP673:ErbB Signaling Pathway
Senescence and Autophagy in Cancer
Notch Signaling Pathway
EPO Receptor Signaling
TGF beta Signaling Pathway
Signaling of Hepatocyte Growth Factor Receptor
Kit receptor signaling pathway
Pregnane X Receptor pathway
IL-3 Signaling Pathway
Polycystic Kidney Disease Pathway
Alpha 6 Beta 4 signaling pathway
BDNF signaling pathway
Oncostatin M Signaling Pathway
Interleukin-11 Signaling Pathway
TSLP Signaling Pathway
Regulation of Microtubule Cytoskeleton
FSH signaling pathway
Leptin signaling pathway
RANKL/RANK Signaling Pathway
Integrin-mediated Cell Adhesion
Angiogenesis
Androgen receptor signaling pathway
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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