Drug Information

Drug General Information
Drug ID
DXQ0QM
Drug Name
cis-N-(4-(4-amino-1-(4-(4-methylpiperazin-1-yl)cyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl)-5,7-dimethylbenzo[d]oxazol-2-amine
Synonyms
CHEMBL1256417
Indication Discovery agent Investigative [1587926]
Formula
C31H36FN9O
Canonical SMILES
CN1CCN(CC1)[C@@H]2CC[C@@H](CC2)n3nc(c4ccc(Nc5oc6c(C)cc(C)cc6n5)c(F)c4)c7c(N)ncnc37
InChI
InChI=1S/C31H36FN9O/c1-18-14-19(2)28-25(15-18)37-31(42-28)36-24-9-4-20(16-23(24)32)27-26-29(33)34-17-35-30(26)41(38-27)22-7-5-21(6-8-22)40-12-10-39(3)11-13-40/h4,9,14-17,21-22H,5-8,10-13H2,1-3H3,(H,36,37)(H2,33,34,35)/t21-,22+
InChIKey
BCCBBFDXEPUOFF-SZPZYZBQSA-N
Target and Pathway
Target(s) Receptor protein-tyrosine kinase erbB-2 Target Info [1587926]
Insulin-like growth factor I receptor Target Info [1587926]
KEGG Pathway ErbB signaling pathway
Calcium signaling pathway
HIF-1 signaling pathway
Focal adhesion
Adherens junction
Pathways in cancer
Proteoglycans in cancer
MicroRNAs in cancer
Pancreatic cancer
Endometrial cancer
Prostate cancer
Bladder cancer
Non-small cell lung cancer
Central carbon metabolism in cancerhsa04014:Ras signaling pathway
Rap1 signaling pathway
FoxO signaling pathway
Oocyte meiosis
Endocytosis
PI3K-Akt signaling pathway
AMPK signaling pathway
Signaling pathways regulating pluripotency of stem cells
Long-term depression
Ovarian steroidogenesis
Progesterone-mediated oocyte maturation
Transcriptional misregulation in cancer
Glioma
Melanoma
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Cadherin signaling pathway
EGF receptor signaling pathwayP00032:Insulin/IGF pathway-mitogen activated protein kinase kinase/MAP kinase cascade
Insulin/IGF pathway-protein kinase B signaling cascade
Pathway Interaction Database ErbB4 signaling events
ErbB2/ErbB3 signaling events
ErbB receptor signaling network
a6b1 and a6b4 Integrin signaling
Validated targets of C-MYC transcriptional repressioner_nongenomic_pathway:Plasma membrane estrogen receptor signaling
SHP2 signaling
IGF1 pathway
Posttranslational regulation of adherens junction stability and dissassembly
Integrins in angiogenesis
Stabilization and expansion of the E-cadherin adherens junction
PathWhiz Pathway Phosphatidylinositol Phosphate Metabolism
Reactome SHC1 events in ERBB2 signaling
PLCG1 events in ERBB2 signaling
PIP3 activates AKT signaling
GRB2 events in ERBB2 signaling
PI3K events in ERBB2 signaling
Constitutive Signaling by Aberrant PI3K in Cancer
Sema4D induced cell migration and growth-cone collapse
RAF/MAP kinase cascadeR-HSA-2428928:IRS-related events triggered by IGF1R
SHC-related events triggered by IGF1R
WikiPathways DNA Damage Response (only ATM dependent)
ErbB Signaling Pathway
EGF/EGFR Signaling Pathway
Focal Adhesion
Extracellular vesicle-mediated signaling in recipient cells
Bladder Cancer
Signaling by ERBB2
Integrated Pancreatic Cancer Pathway
Signaling Pathways in Glioblastoma
Leptin signaling pathway
miR-targeted genes in muscle cell - TarBase
Semaphorin interactionsWP615:Senescence and Autophagy in Cancer
Insulin Signaling
Endochondral Ossification
Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)
Apoptosis
TSH signaling pathway
MicroRNAs in cardiomyocyte hypertrophy
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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