Drug Information

Drug General Information
Drug ID
D05NDW
Former ID
DNCL002376
Drug Name
SAR245409/MSC1936369B combination therapy
Drug Type
Small molecular drug
Indication Solid tumours [ICD9: 140-199, 210-229; ICD10:C00-D48] Phase 1 [523487]
Company
Merck; Sanofi
Structure
Download
2D MOL

3D MOL
Formula
C31H29N5O6S
Canonical SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=C<br />C=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC
InChI
1S/C31H29N5O6S/c1-19-9-10-20(15-28(19)42-4)31(37)33-21-11-13-25(14-12-21)43(38,39)36-30-29(34-26-7-5-6-8-27(26)35-30)32-22-16-23(40-2)18-24(17-22)41-3/h5-18H,1-4H3,(H,32,34)(H,33,37)(H,35,36)
InChIKey
HJSSPYJVWLTYHG-UHFFFAOYSA-N
PubChem Compound ID
49867926
PubChem Substance ID
104253191, 121143586, 124757314, 125164118, 136331669, 136340221, 136348240, 136367535, 152258386, 160647223, 160962902, 162011838, 162037645, 162202600, 163783416, 163907974, 174006518, 174526238, 177749163, 185998829, 223382372, 223705077, 234218943, 242588384, 249565647, 251962690, 252110152, 252216254, 252216626, 252450473
Target and Pathway
Target(s) Phosphoinositide 3 kinase Target Info Inhibitor [543562]
Serine/threonine-protein kinase mTOR Target Info Modulator [543556]
KEGG Pathway Inositol phosphate metabolism
ErbB signaling pathway
Ras signaling pathway
Rap1 signaling pathway
cGMP-PKG signaling pathway
cAMP signaling pathway
Chemokine signaling pathway
HIF-1 signaling pathway
FoxO signaling pathway
Phosphatidylinositol signaling system
Sphingolipid signaling pathway
mTOR signaling pathway
PI3K-Akt signaling pathway
AMPK signaling pathway
Apoptosis
Adrenergic signaling in cardiomyocytes
VEGF signaling pathway
Osteoclast differentiation
Focal adhesion
Signaling pathways regulating pluripotency of stem cells
Platelet activation
Toll-like receptor signaling pathway
Jak-STAT signaling pathway
Natural killer cell mediated cytotoxicity
T cell receptor signaling pathway
B cell receptor signaling pathway
Fc epsilon RI signaling pathway
Fc gamma R-mediated phagocytosis
TNF signaling pathway
Leukocyte transendothelial migration
Neurotrophin signaling pathway
Cholinergic synapse
Inflammatory mediator regulation of TRP channels
Regulation of actin cytoskeleton
Insulin signaling pathway
Progesterone-mediated oocyte maturation
Estrogen signaling pathway
Prolactin signaling pathway
Thyroid hormone signaling pathway
Oxytocin signaling pathway
Regulation of lipolysis in adipocytes
Type II diabetes mellitus
Non-alcoholic fatty liver disease (NAFLD)
Aldosterone-regulated sodium reabsorption
Carbohydrate digestion and absorption
Bacterial invasion of epithelial cells
Chagas disease (American trypanosomiasis)
Toxoplasmosis
Amoebiasis
Hepatitis C
Hepatitis B
Measles
Influenza A
HTLV-I infection
Epstein-Barr virus infection
Pathways in cancer
Viral carcinogenesis
Proteoglycans in cancer
MicroRNAs in cancer
Colorectal cancer
Renal cell carcinoma
Pancreatic cancer
Endometrial cancer
Glioma
Prostate cancer
Melanoma
Chronic myeloid leukemia
Acute myeloid leukemia
Small cell lung cancer
Non-small cell lung cancer
Central carbon metabolism in cancer
Choline metabolism in cancerhsa04012:ErbB signaling pathway
Adipocytokine signaling pathway
Choline metabolism in cancer
PANTHER Pathway Hypoxia response via HIF activation
Interleukin signaling pathway
Pathway Interaction Database IL4-mediated signaling events
Signaling events mediated by Hepatocyte Growth Factor Receptor (c-Met)
IL12-mediated signaling events
CDC42 signaling events
LKB1 signaling events
Regulation of Telomerase
mTOR signaling pathway
CXCR4-mediated signaling events
EGFR-dependent Endothelin signaling events
IL2 signaling events mediated by PI3K
IFN-gamma pathway
ErbB1 downstream signaling
ErbB2/ErbB3 signaling events
CXCR3-mediated signaling events
Class I PI3K signaling events mediated by Akt
PathWhiz Pathway Inositol Metabolism
Phosphatidylinositol Phosphate Metabolism
Intracellular Signalling Through Adenosine Receptor A2a and Adenosine
Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Fc Epsilon Receptor I Signaling in Mast CellsPW000659:Leucine Stimulation on Insulin Signaling
Reactome PI3K Cascade
GPVI-mediated activation cascade
Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants
PI3K events in ERBB4 signaling
PIP3 activates AKT signaling
GAB1 signalosome
PI3K events in ERBB2 signaling
PI3K/AKT activation
Role of phospholipids in phagocytosis
Tie2 Signaling
Constitutive Signaling by Aberrant PI3K in Cancer
DAP12 signaling
Role of LAT2/NTAL/LAB on calcium mobilization
Nephrin interactions
Costimulation by the CD28 family
CD28 dependent PI3K/Akt signaling
G beta:gamma signalling through PI3Kgamma
G alpha (q) signalling events
G alpha (12/13) signalling events
VEGFA-VEGFR2 Pathway
Interleukin-3, 5 and GM-CSF signaling
Constitutive Signaling by EGFRvIII
PI-3K cascade:FGFR1
PI-3K cascade:FGFR2
PI-3K cascade:FGFR3
PI-3K cascade:FGFR4
Interleukin receptor SHC signaling
Regulation of signaling by CBLR-HSA-1257604:PIP3 activates AKT signaling
Macroautophagy
mTORC1-mediated signalling
HSF1-dependent transactivation
VEGFR2 mediated vascular permeability
TP53 Regulates Metabolic Genes
Constitutive Signaling by AKT1 E17K in Cancer
WikiPathways Toll-like receptor signaling pathway
Serotonin HTR1 Group and FOS Pathway
DNA Damage Response (only ATM dependent)
G13 Signaling Pathway
Regulation of Actin Cytoskeleton
Insulin Signaling
IL-4 Signaling Pathway
Copper homeostasis
Signaling of Hepatocyte Growth Factor Receptor
Transcriptional activation by NRF2
IL1 and megakaryotyces in obesity
Signaling by ERBB4
Signaling by ERBB2
Fc epsilon receptor (FCERI) signaling
PI Metabolism
Interleukin-2 signaling
Fcgamma receptor (FCGR) dependent phagocytosis
Signaling by SCF-KIT
DAP12 interactions
Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)
Gastrin-CREB signalling pathway via PKC and MAPK
PIP3 activates AKT signaling
Integrated Pancreatic Cancer Pathway
Prostate Cancer
Signaling Pathways in Glioblastoma
TSLP Signaling Pathway
Regulation of Microtubule Cytoskeleton
TSH signaling pathway
SREBP signalling
TCR signaling
Signaling by PDGF
Signaling by Insulin receptor
Signaling by FGFR
Signaling by EGFR
NGF signalling via TRKA from the plasma membrane
Nephrin interactions
Interleukin-3, 5 and GM-CSF signaling
GPVI-mediated activation cascade
GPCR downstream signaling
Costimulation by the CD28 family
Cell surface interactions at the vascular wall
MicroRNAs in cardiomyocyte hypertrophy
Angiogenesis
Regulation of toll-like receptor signaling pathway
AMPK SignalingWP673:ErbB Signaling Pathway
Senescence and Autophagy in Cancer
Interferon type I signaling pathways
EGF/EGFR Signaling Pathway
Wnt Signaling Pathway Netpath
Extracellular vesicle-mediated signaling in recipient cells
Cardiac Hypertrophic Response
Polycystic Kidney Disease Pathway
Alpha 6 Beta 4 signaling pathway
BDNF signaling pathway
Oncostatin M Signaling Pathway
FSH signaling pathway
Leptin signaling pathway
RANKL/RANK Signaling Pathway
SREBF and miR33 in cholesterol and lipid homeostasis
Integrated Breast Cancer Pathway
Type II diabetes mellitus
TOR Signaling
AMPK Signaling
References
Ref 523487ClinicalTrials.gov (NCT01357330) Oral SAR245408 (XL147) and Oral MSC1936369B in Patients With Locally Advanced or Metastatic Solid Tumors. U.S. National Institutes of Health.
Ref 543556(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2109).
Ref 543562(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2156).

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