Drug Information

Drug General Information
Drug ID
D0Y5RO
Former ID
DNC006296
Drug Name
NU-6102
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528404]
Formula
C18H22N6O3S
Canonical SMILES
C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
InChIKey
OWXORKPNCHJYOF-UHFFFAOYSA-N
PubChem Compound ID
4566
Target and Pathway
Target(s) Cell division protein kinase 2 Target Info Inhibitor [528404]
Serine/threonine-protein kinase Chk1 Target Info Inhibitor [527906]
mRNA of PDK-1 Target Info Inhibitor [527906]
Glycogen synthase kinase-3 beta Target Info Inhibitor [527906]
Cell division protein kinase 4 Target Info Inhibitor [528404]
KEGG Pathway FoxO signaling pathway
Cell cycle
Oocyte meiosis
p53 signaling pathway
PI3K-Akt signaling pathway
Progesterone-mediated oocyte maturation
Hepatitis B
Measles
Herpes simplex infection
Epstein-Barr virus infection
Pathways in cancer
Viral carcinogenesis
Prostate cancer
Small cell lung cancerhsa04110:Cell cycle
HTLV-I infection
Viral carcinogenesishsa03320:PPAR signaling pathway
Sphingolipid signaling pathway
mTOR signaling pathway
AMPK signaling pathway
Focal adhesion
T cell receptor signaling pathway
Fc epsilon RI signaling pathway
Neurotrophin signaling pathway
Insulin signaling pathway
Thyroid hormone signaling pathway
Aldosterone-regulated sodium reabsorption
Toxoplasmosis
Hepatitis C
Proteoglycans in cancer
Endometrial cancer
Non-small cell lung cancer
Choline metabolism in cancerhsa04012:ErbB signaling pathway
Chemokine signaling pathway
Wnt signaling pathway
Hedgehog signaling pathway
Axon guidance
Hippo signaling pathway
Signaling pathways regulating pluripotency of stem cells
B cell receptor signaling pathway
Dopaminergic synapse
Melanogenesis
Prolactin signaling pathway
Non-alcoholic fatty liver disease (NAFLD)
Alzheimer's disease
Influenza A
Colorectal cancer
Basal cell carcinomahsa04110:Cell cycle
Tight junction
Pancreatic cancer
Glioma
Melanoma
Bladder cancer
Chronic myeloid leukemia
Small cell lung cancer
NetPath Pathway TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
EGFR1 Signaling Pathway
RANKL Signaling Pathway
PANTHER Pathway p53 pathway
p53 pathway feedback loops 2P00031:Inflammation mediated by chemokine and cytokine signaling pathway
Insulin/IGF pathway-protein kinase B signaling cascade
Interleukin signaling pathway
PDGF signaling pathway
PI3 kinase pathway
Ras Pathway
p53 pathway feedback loops 2
CCKR signaling map STP00004:Alzheimer disease-presenilin pathway
Angiogenesis
Cadherin signaling pathway
Hedgehog signaling pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Wnt signaling pathway
CCKR signaling map ST
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling
Signaling events mediated by PRL
p73 transcription factor network
E2F transcription factor network
ATR signaling pathway
mTOR signaling pathway
IL2-mediated signaling events
FoxO family signaling
FOXM1 transcription factor network
BARD1 signaling events
p53 pathway
Regulation of retinoblastoma proteinfanconi_pathway:Fanconi anemia pathway
Circadian rhythm pathway
p53 pathwaybcr_5pathway:BCR signaling pathway
Insulin Pathway
TCR signaling in na&#xef
Signaling events mediated by Hepatocyte Growth Factor Receptor (c-Met)
TCR signaling in na&#xef
FAS (CD95) signaling pathway
CXCR4-mediated signaling events
IGF1 pathway
Class I PI3K signaling events
ErbB1 downstream signaling
IL8- and CXCR2-mediated signaling events
CXCR3-mediated signaling events
VEGFR1 specific signals
Signaling events mediated by Stem cell factor receptor (c-Kit)
Signaling events mediated by VEGFR1 and VEGFR2
Class I PI3K signaling events mediated by Akt
IL8- and CXCR1-mediated signaling events
Trk receptor signaling mediated by PI3K and PLC-gamma
FGF signaling pathway
TGF-beta receptor signalinglysophospholipid_pathway:LPA receptor mediated events
Degradation of beta catenin
Reelin signaling pathway
Presenilin action in Notch and Wnt signaling
Integrin-linked kinase signaling
CDC42 signaling events
LKB1 signaling events
Canonical Wnt signaling pathway
Role of Calcineurin-dependent NFAT signaling in lymphocytes
Glucocorticoid receptor regulatory network
C-MYC pathway
Regulation of Androgen receptor activity
BMP receptor signaling
Hedgehog signaling events mediated by Gli proteins
Validated transcriptional targets of deltaNp63 isoforms
Aurora A signaling
Insulin-mediated glucose transport
Trk receptor signaling mediated by PI3K and PLC-gammasmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
Calcineurin-regulated NFAT-dependent transcription in lymphocytes
Validated targets of C-MYC transcriptional activation
ATF-2 transcription factor network
Regulation of retinoblastoma protein
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and Adenosine
Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Insulin Signalling
Reactome G0 and Early G1
Activation of ATR in response to replication stress
Regulation of APC/C activators between G1/S and early anaphase
SCF(Skp2)-mediated degradation of p27/p21
Senescence-Associated Secretory Phenotype (SASP)
DNA Damage/Telomere Stress Induced Senescence
Processing of DNA double-strand break ends
G2 Phase
Orc1 removal from chromatin
Cyclin E associated events during G1/S transition
Cyclin A/B1 associated events during G2/M transition
p53-Dependent G1 DNA Damage Response
Cyclin A:Cdk2-associated events at S phase entry
Meiotic recombination
Factors involved in megakaryocyte development and platelet productionR-HSA-176187:Activation of ATR in response to replication stress
Presynaptic phase of homologous DNA pairing and strand exchange
G2/M DNA damage checkpoint
Ubiquitin Mediated Degradation of Phosphorylated Cdc25A
Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complexR-HSA-114604:GPVI-mediated activation cascade
PIP3 activates AKT signaling
Activation of AKT2
Role of LAT2/NTAL/LAB on calcium mobilization
FCERI mediated NF-kB activation
Integrin alphaIIb beta3 signaling
CD28 dependent PI3K/Akt signaling
CTLA4 inhibitory signaling
G beta:gamma signalling through PI3Kgamma
VEGFR2 mediated vascular permeability
VEGFR2 mediated cell proliferation
CLEC7A (Dectin-1) signaling
RHO GTPases activate PKNs
Constitutive Signaling by AKT1 E17K in CancerR-HSA-195253:Degradation of beta-catenin by the destruction complex
AKT phosphorylates targets in the cytosol
Regulation of HSF1-mediated heat shock response
CRMPs in Sema3A signaling
Disassembly of the destruction complex and recruitment of AXIN to the membrane
S33 mutants of beta-catenin aren't phosphorylated
S37 mutants of beta-catenin aren't phosphorylated
S45 mutants of beta-catenin aren't phosphorylated
T41 mutants of beta-catenin aren't phosphorylated
Degradation of GLI2 by the proteasome
Constitutive Signaling by AKT1 E17K in CancerR-HSA-2559580:Oxidative Stress Induced Senescence
Oncogene Induced Senescence
RMTs methylate histone arginines
Transcriptional regulation of white adipocyte differentiation
Ubiquitin-dependent degradation of Cyclin D1
Cyclin D associated events in G1
WikiPathways DNA Damage Response
ID signaling pathway
DNA Replication
G1 to S cell cycle control
M/G1 Transition
S Phase
Meiotic Recombination
Aryl Hydrocarbon Receptor
ATM Signaling Pathway
Retinoblastoma (RB) in Cancer
Spinal Cord Injury
Integrated Pancreatic Cancer Pathway
Oncostatin M Signaling Pathway
Prostate Cancer
Signaling Pathways in Glioblastoma
TSH signaling pathway
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Synthesis of DNA
Regulation of DNA replication
Mitotic G2-G2/M phases
Mitotic G1-G1/S phases
Factors involved in megakaryocyte development and platelet production
Cell Cycle
APC/C-mediated degradation of cell cycle proteins
Cell Cycle Checkpoints
miRNA Regulation of DNA Damage ResponseWP707:DNA Damage Response
Signaling by SCF-KIT
miRNA Regulation of DNA Damage ResponseWP722:Serotonin HTR1 Group and FOS Pathway
TCR Signaling Pathway
Insulin Signaling
EGF/EGFR Signaling Pathway
Cardiac Hypertrophic Response
Fc epsilon receptor (FCERI) signaling
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)
PIP3 activates AKT signaling
BDNF signaling pathway
Interleukin-11 Signaling Pathway
B Cell Receptor Signaling Pathway
TCR signaling
Signaling by Insulin receptor
Integrin-mediated Cell Adhesion
GPVI-mediated activation cascade
GPCR downstream signaling
Costimulation by the CD28 family
MicroRNAs in cardiomyocyte hypertrophyWP710:DNA Damage Response (only ATM dependent)
Senescence and Autophagy in Cancer
Notch Signaling Pathway
Glycogen Metabolism
Wnt Signaling Pathway
Wnt Signaling Pathway and Pluripotency
IL-6 signaling pathway
Wnt Signaling Pathway Netpath
Copper homeostasis
Focal Adhesion
Hair Follicle Development: Induction (Part 1 of 3)
Degradation of beta-catenin by the destruction complex
T-Cell Receptor and Co-stimulatory Signaling
Cardiac Progenitor Differentiation
Corticotropin-releasing hormone
IL17 signaling pathway
Neural Crest Differentiation
Alzheimers Disease
IL-7 Signaling Pathway
Regulation of Microtubule Cytoskeleton
TWEAK Signaling Pathway
Leptin signaling pathway
Semaphorin interactions
MicroRNAs in cardiomyocyte hypertrophy
Androgen receptor signaling pathway
IL-5 Signaling PathwayWP707:DNA Damage Response
Ovarian Infertility Genes
PPAR Alpha Pathway
Bladder Cancer
Transcriptional Regulation of White Adipocyte Differentiation
miRNA Regulation of DNA Damage Response
References
Ref 528404J Med Chem. 2006 Sep 7;49(18):5470-7.Dissecting the determinants of cyclin-dependent kinase 2 and cyclin-dependent kinase 4 inhibitor selectivity.
Ref 527906Bioorg Med Chem Lett. 2006 Mar 1;16(5):1353-7. Epub 2005 Dec 1.Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR.
Ref 528404J Med Chem. 2006 Sep 7;49(18):5470-7.Dissecting the determinants of cyclin-dependent kinase 2 and cyclin-dependent kinase 4 inhibitor selectivity.

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