Drug General Information
Drug ID
DXV4QO
Drug Name
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
Synonyms
CHEMBL200027
Indication Discovery agent Investigative [1587926]
Formula
C28H29N5OS
Canonical SMILES
O=C(N1CCC(CC1)N2CCCC2)c3ccc(Nc4nccc(n4)c5cc6ccccc6s5)cc3
InChI
InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)
InChIKey
BWZJBXAPRCVCKQ-UHFFFAOYSA-N
Target and Pathway
Target(s) Inhibitor of nuclear factor kappa B kinase beta subunit Target Info [1587926]
Tyrosine-protein kinase JAK2 Target Info [1587926]
KEGG Pathway MAPK signaling pathway
Ras signaling pathway
Chemokine signaling pathway
NF-kappa B signaling pathway
FoxO signaling pathway
mTOR signaling pathway
PI3K-Akt signaling pathway
Apoptosis
Osteoclast differentiation
Toll-like receptor signaling pathway
NOD-like receptor signaling pathway
RIG-I-like receptor signaling pathway
Cytosolic DNA-sensing pathway
T cell receptor signaling pathway
B cell receptor signaling pathway
TNF signaling pathway
Neurotrophin signaling pathway
Insulin signaling pathway
Adipocytokine signaling pathway
Type II diabetes mellitus
Non-alcoholic fatty liver disease (NAFLD)
Epithelial cell signaling in Helicobacter pylori infection
Shigellosis
Chagas disease (American trypanosomiasis)
Toxoplasmosis
Hepatitis C
Hepatitis B
Influenza A
HTLV-I infection
Herpes simplex infection
Epstein-Barr virus infection
Pathways in cancer
MicroRNAs in cancer
Pancreatic cancer
Prostate cancer
Chronic myeloid leukemia
Acute myeloid leukemia
Small cell lung cancerhsa04062:Chemokine signaling pathway
Signaling pathways regulating pluripotency of stem cells
Jak-STAT signaling pathway
Cholinergic synapse
Prolactin signaling pathway
Leishmaniasis
Tuberculosis
Measles
PANTHER Pathway Apoptosis signaling pathway
B cell activation
Inflammation mediated by chemokine and cytokine signaling pathway
Interleukin signaling pathway
PDGF signaling pathway
T cell activation
Toll receptor signaling pathwayP00031:Inflammation mediated by chemokine and cytokine signaling pathway
Interferon-gamma signaling pathway
JAK/STAT signaling pathway
PI3 kinase pathway
CCKR signaling map ST
Pathway Interaction Database Fc-epsilon receptor I signaling in mast cells
BCR signaling pathway
GMCSF-mediated signaling events
Atypical NF-kappaB pathway
TCR signaling in na&#xef
Canonical NF-kappaB pathway
TRAIL signaling pathway
TCR signaling in na&#xef
FAS (CD95) signaling pathway
IL1-mediated signaling events
mTOR signaling pathway
TNF receptor signaling pathway
FoxO family signaling
p75(NTR)-mediated signaling
Validated transcriptional targets of TAp63 isoforms
Endogenous TLR signalingendothelinpathway:Endothelins
ErbB4 signaling events
IL4-mediated signaling events
IL27-mediated signaling events
Signaling events mediated by PTP1B
IL12-mediated signaling events
S1P3 pathway
SHP2 signaling
CXCR4-mediated signaling events
IL5-mediated signaling events
IFN-gamma pathway
ErbB2/ErbB3 signaling events
IL3-mediated signaling events
IL6-mediated signaling events
PDGFR-beta signaling pathway
IL23-mediated signaling events
Signaling events mediated by Stem cell factor receptor (c-Kit)
EPO signaling pathway
Notch-mediated HES/HEY network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and Adenosine
Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome Activation of NF-kappaB in B cells
NOD1/2 Signaling Pathway
RIP-mediated NFkB activation via ZBP1
p75NTR recruits signalling complexes
NF-kB is activated and signals survival
FCERI mediated NF-kB activation
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
Interleukin-1 signaling
Regulation of TNFR1 signaling
TNFR1-induced NFkappaB signaling pathway
IKBKB deficiency causes SCID
IKBKG deficiency causes anhidrotic ectodermal dysplasia with immunodeficiency (EDA-ID) (via TLR)
IkBA variant leads to EDA-ID
CLEC7A (Dectin-1) signaling
MAP3K8 (TPL2)-dependent MAPK1/3 activation
TRAF6 mediated NF-kB activation
NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10
IRAK1 recruits IKK complex
IKK complex recruitment mediated by RIP1
IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulationR-HSA-1059683:Interleukin-6 signaling
MAPK3 (ERK1) activation
MAPK1 (ERK2) activation
GPVI-mediated activation cascade
Prolactin receptor signaling
RMTs methylate histone arginines
G beta:gamma signalling through PI3Kgamma
Interleukin-3, 5 and GM-CSF signaling
RAF activation
RAF/MAP kinase cascade
Interferon gamma signaling
Regulation of IFNG signaling
Interleukin receptor SHC signaling
Growth hormone receptor signaling
Factors involved in megakaryocyte development and platelet production
WikiPathways Toll-like receptor signaling pathway
Estrogen signaling pathway
TCR Signaling Pathway
Insulin Signaling
IL-4 Signaling Pathway
MAPK Signaling Pathway
NLR Proteins
Hair Follicle Development: Induction (Part 1 of 3)
MyD88 cascade initiated on plasma membrane
Cardiac Hypertrophic Response
Cytosolic sensors of pathogen-associated DNA
MyD88 dependent cascade initiated on endosome
Nucleotide-binding domain, leucine rich repeat containing receptor (NLR) signaling pathways
MyD88:Mal cascade initiated on plasma membrane
Fc epsilon receptor (FCERI) signaling
MyD88-independent cascade
Signaling by the B Cell Receptor (BCR)
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
Structural Pathway of Interleukin 1 (IL-1)
EBV LMP1 signaling
Polycystic Kidney Disease Pathway
Apoptosis
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
BDNF signaling pathway
Interleukin-11 Signaling Pathway
AGE/RAGE pathway
TNF alpha Signaling Pathway
B Cell Receptor Signaling Pathway
IL17 signaling pathway
TWEAK Signaling Pathway
Leptin signaling pathway
RANKL/RANK Signaling Pathway
Signalling by NGF
IL-1 signaling pathway
TCR signaling
RIG-I/MDA5 mediated induction of IFN-alpha/beta pathways
Interleukin-1 signaling
Apoptosis Modulation and Signaling
Type II diabetes mellitus
MicroRNAs in cardiomyocyte hypertrophy
Regulation of toll-like receptor signaling pathway
Osteopontin Signaling
NOD pathwayWP733:Serotonin Receptor 2 and STAT3 Signaling
Type II interferon signaling (IFNG)
Notch Signaling Pathway
EPO Receptor Signaling
EGF/EGFR Signaling Pathway
IL-6 signaling pathway
Kit receptor signaling pathway
IL-3 Signaling Pathway
Mesodermal Commitment Pathway
Interleukin-2 signaling
Signaling by SCF-KIT
Prolactin receptor signaling
Growth hormone receptor signaling
JAK/STAT
Oncostatin M Signaling Pathway
TSLP Signaling Pathway
TSH signaling pathway
Interleukin-3, 5 and GM-CSF signaling
Interferon gamma signaling
Factors involved in megakaryocyte development and platelet production
IL-5 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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