Drug Information

Drug General Information

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Drug ID

D0N6ES

Former ID

DNC008115

Drug Name

KN-62

Synonyms

KN-62 (non-isomeric); GTPL6001; HMS3229A04; CCG-206863

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Drug Type

Small molecular drug

Indication

Discovery agent [ICD-11: N.A.]

Investigative

[1]

Structure

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2D MOL

Formula

C38H35N5O6S2

Canonical SMILES

CN(C(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7

InChI

1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1

InChIKey

RJVLFQBBRSMWHX-DHUJRADRSA-N

CAS Number

CAS 127191-97-3

PubChem Compound ID

5312126

PubChem Substance ID

26759023, 99302610, 163687825, 175607494, 178102623

ChEBI ID

CHEBI:131159

Target and Pathway

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Target(s)

Checkpoint kinase-1 (CHK1)

Target Info

Inhibitor

[2]

Extracellular signal-regulated kinase 2 (ERK2)

Target Info

Inhibitor

[2]

LCK tyrosine protein kinase (LCK)

Target Info

Inhibitor

[2]

MAP kinase p38 (MAPK12)

Target Info

Inhibitor

[2]

P2X purinoceptor 7 (P2RX7)

Target Info

Inhibitor

[3]

Protein kinase C alpha (PRKCA)

Target Info

Inhibitor

[2]

RAC-alpha serine/threonine-protein kinase (AKT1)

Target Info

Inhibitor

[2]

Rho-associated protein kinase 1 (ROCK1)

Target Info

Inhibitor

[2]

Ribosomal protein S6 kinase beta-1 (S6K1)

Target Info

Inhibitor

[2]

Serine/threonine-protein kinase Sgk1 (SGK1)

Target Info

Inhibitor

[2]

Stress-activated protein kinase 2a (p38 alpha)

Target Info

Inhibitor

[2]

Stress-activated protein kinase 2b (p38 beta)

Target Info

Inhibitor

[2]

Stress-activated protein kinase JNK1 (JNK1)

Target Info

Inhibitor

[2]

KEGG Pathway

ErbB signaling pathway

HIF-1 signaling pathway

mTOR signaling pathway

PI3K-Akt signaling pathway

AMPK signaling pathway

TGF-beta signaling pathway

Fc gamma R-mediated phagocytosis

Insulin signaling pathway

Proteoglycans in cancer

Acute myeloid leukemia

Choline metabolism in cancer

Cell cycle

p53 signaling pathway

HTLV-I infection

Viral carcinogenesis

cGMP-PKG signaling pathway

cAMP signaling pathway

Chemokine signaling pathway

Sphingolipid signaling pathway

Vascular smooth muscle contraction

Axon guidance

Focal adhesion

Platelet activation

Leukocyte transendothelial migration

Regulation of actin cytoskeleton

Oxytocin signaling pathway

Pathogenic Escherichia coli infection

Shigellosis

Salmonella infection

Pathways in cancer

MicroRNAs in cancer

MAPK signaling pathway

Rap1 signaling pathway

FoxO signaling pathway

Oocyte meiosis

Adrenergic signaling in cardiomyocytes

VEGF signaling pathway

Osteoclast differentiation

Signaling pathways regulating pluripotency of stem cells

Toll-like receptor signaling pathway

NOD-like receptor signaling pathway

RIG-I-like receptor signaling pathway

T cell receptor signaling pathway

Fc epsilon RI signaling pathway

TNF signaling pathway

Neurotrophin signaling pathway

Retrograde endocannabinoid signaling

Dopaminergic synapse

Inflammatory mediator regulation of TRP channels

GnRH signaling pathway

Progesterone-mediated oocyte maturation

Prolactin signaling pathway

Amyotrophic lateral sclerosis (ALS)

Epithelial cell signaling in Helicobacter pylori infection

Pertussis

Leishmaniasis

Chagas disease (American trypanosomiasis)

Toxoplasmosis

Tuberculosis

Hepatitis C

Influenza A

Epstein-Barr virus infection

Ras signaling pathway

Dorso-ventral axis formation

Adherens junction

Gap junction

Natural killer cell mediated cytotoxicity

B cell receptor signaling pathway

Circadian entrainment

Long-term potentiation

Glutamatergic synapse

Cholinergic synapse

Serotonergic synapse

Long-term depression

Estrogen signaling pathway

Melanogenesis

Thyroid hormone signaling pathway

Type II diabetes mellitus

Aldosterone-regulated sodium reabsorption

Alzheimer's disease

Prion diseases

Alcoholism

Hepatitis B

Colorectal cancer

Renal cell carcinoma

Pancreatic cancer

Endometrial cancer

Glioma

Prostate cancer

Thyroid cancer

Melanoma

Bladder cancer

Chronic myeloid leukemia

Non-small cell lung cancer

Central carbon metabolism in cancer

Calcium signaling pathway

Phosphatidylinositol signaling system

Wnt signaling pathway

Tight junction

GABAergic synapse

Insulin secretion

Thyroid hormone synthesis

Endocrine and other factor-regulated calcium reabsorption

Salivary secretion

Gastric acid secretion

Pancreatic secretion

Amphetamine addiction

Morphine addiction

Vibrio cholerae infection

African trypanosomiasis

Amoebiasis

Neuroactive ligand-receptor interaction

Apoptosis

Jak-STAT signaling pathway

Adipocytokine signaling pathway

Glucagon signaling pathway

Regulation of lipolysis in adipocytes

Non-alcoholic fatty liver disease (NAFLD)

Carbohydrate digestion and absorption

Measles

Small cell lung cancer

NF-kappa B signaling pathway

Primary immunodeficiency

Protein processing in endoplasmic reticulum

Herpes simplex infection

NetPath Pathway

TCR Signaling Pathway

IL2 Signaling Pathway

IL5 Signaling Pathway

FSH Signaling Pathway

TSH Signaling Pathway

TNFalpha Signaling Pathway

Panther Pathway

Insulin/IGF pathway-mitogen activated protein kinase kinase/MAP kinase cascade

PDGF signaling pathway

PI3 kinase pathway

p53 pathway by glucose deprivation

CCKR signaling map ST

Cytoskeletal regulation by Rho GTPase

Inflammation mediated by chemokine and cytokine signaling pathway

Alzheimer disease-amyloid secretase pathway

B cell activation

EGF receptor signaling pathway

FGF signaling pathway

Interferon-gamma signaling pathway

Oxidative stress response

Parkinson disease

TGF-beta signaling pathway

Ras Pathway

p53 pathway feedback loops 2

p38 MAPK pathway

Angiogenesis

Apoptosis signaling pathway

Endothelin signaling pathway

Interleukin signaling pathway

T cell activation

VEGF signaling pathway

Angiotensin II-stimulated signaling through G proteins and beta-arrestin

Alpha adrenergic receptor signaling pathway

Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway

Muscarinic acetylcholine receptor 1 and 3 signaling pathway

Wnt signaling pathway

5HT2 type receptor mediated signaling pathway

Histamine H1 receptor mediated signaling pathway

Oxytocin receptor mediated signaling pathway

Thyrotropin-releasing hormone receptor signaling pathway

Toll receptor signaling pathway

Huntington disease

Hypoxia response via HIF activation

Insulin/IGF pathway-protein kinase B signaling cascade

p53 pathway

FAS signaling pathway

Integrin signalling pathway

Pathwhiz Pathway

Leucine Stimulation on Insulin Signaling

Intracellular Signalling Through Adenosine Receptor A2a and Adenosine

Intracellular Signalling Through Adenosine Receptor A2b and Adenosine

Fc Epsilon Receptor I Signaling in Mast Cells

Insulin Signalling

Activation of PKC through G protein coupled receptor

Pathway Interaction Database

Insulin Pathway

IL4-mediated signaling events

CDC42 signaling events

Angiopoietin receptor Tie2-mediated signaling

Regulation of Telomerase

mTOR signaling pathway

IGF1 pathway

IL2 signaling events mediated by PI3K

Integrins in angiogenesis

RXR and RAR heterodimerization with other nuclear receptor

Signaling events mediated by Stem cell factor receptor (c-Kit)

a6b1 and a6b4 Integrin signaling

TGF-beta receptor signaling

Fanconi anemia pathway

p73 transcription factor network

ATR signaling pathway

Circadian rhythm pathway

p53 pathway

Signaling events mediated by PRL

RhoA signaling pathway

Noncanonical Wnt signaling pathway

EPHB forward signaling

Thromboxane A2 receptor signaling

PAR4-mediated thrombin signaling events

amb2 Integrin signaling

EPHA forward signaling

Stabilization and expansion of the E-cadherin adherens junction

Signaling events mediated by VEGFR1 and VEGFR2

PAR1-mediated thrombin signaling events

N-cadherin signaling events

Signaling mediated by p38-gamma and p38-delta

Fc-epsilon receptor I signaling in mast cells

Endothelins

BCR signaling pathway

ErbB4 signaling events

GMCSF-mediated signaling events

Signaling events mediated by Hepatocyte Growth Factor Receptor (c-Met)

S1P3 pathway

Osteopontin-mediated events

S1P4 pathway

Presenilin action in Notch and Wnt signaling

TRAIL signaling pathway

Signaling events regulated by Ret tyrosine kinase

S1P1 pathway

Netrin-mediated signaling events

Glucocorticoid receptor regulatory network

Arf6 downstream pathway

Class IB PI3K non-lipid kinase events

IL2-mediated signaling events

EGF receptor (ErbB1) signaling pathway

Ras signaling in the CD4+ TCR pathway

Ceramide signaling pathway

IFN-gamma pathway

ErbB1 downstream signaling

ATF-2 transcription factor network

ErbB2/ErbB3 signaling events

BMP receptor signaling

ALK1 signaling events

PDGFR-beta signaling pathway

Neurotrophic factor-mediated Trk receptor signaling

Syndecan-1-mediated signaling events

Retinoic acid receptors-mediated signaling

Nongenotropic Androgen signaling

CXCR3-mediated signaling events

VEGFR1 specific signals

Regulation of cytoplasmic and nuclear SMAD2/3 signaling

Syndecan-2-mediated signaling events

Cellular roles of Anthrax toxin

S1P2 pathway

Trk receptor signaling mediated by the MAPK pathway

Downstream signaling in na&#xef

VEGFR3 signaling in lymphatic endothelium

Alpha-synuclein signaling

FGF signaling pathway

Signaling events mediated by focal adhesion kinase

FoxO family signaling

Class I PI3K signaling events

TCR signaling in na&#xef

Canonical NF-kappaB pathway

TCR signaling in na&#xef

Role of Calcineurin-dependent NFAT signaling in lymphocytes

Syndecan-4-mediated signaling events

IL8- and CXCR2-mediated signaling events

IL8- and CXCR1-mediated signaling events

Regulation of Ras family activation

p38 MAPK signaling pathway

Plasma membrane estrogen receptor signaling

CD40/CD40L signaling

Regulation of p38-alpha and p38-beta

FAS (CD95) signaling pathway

Rapid glucocorticoid signaling

IL6-mediated signaling events

p38 signaling mediated by MAPKAP kinases

Signaling mediated by p38-alpha and p38-beta

Regulation of retinoblastoma protein

Atypical NF-kappaB pathway

IL12-mediated signaling events

Regulation of Androgen receptor activity

EPO signaling pathway

RAC1 signaling pathway

Regulation of nuclear SMAD2/3 signaling

LPA receptor mediated events

Signaling events mediated by PTP1B

Coregulation of Androgen receptor activity

Reelin signaling pathway

Integrin-linked kinase signaling

FOXA2 and FOXA3 transcription factor networks

CXCR4-mediated signaling events

p75(NTR)-mediated signaling

E-cadherin signaling in the nascent adherens junction

E-cadherin signaling in keratinocytes

Nephrin/Neph1 signaling in the kidney podocyte

Signaling events mediated by the Hedgehog family

Hedgehog signaling events mediated by Gli proteins

Caspase Cascade in Apoptosis

Aurora A signaling

Insulin-mediated glucose transport

Class I PI3K signaling events mediated by Akt

HIF-1-alpha transcription factor network

Trk receptor signaling mediated by PI3K and PLC-gamma

Glypican 1 network

SHP2 signaling

IL2 signaling events mediated by STAT5

Ephrin B reverse signaling

IL1-mediated signaling events

JNK signaling in the CD4+ TCR pathway

HIV-1 Nef: Negative effector of Fas and TNF-alpha

Glypican 3 network

IL12 signaling mediated by STAT4

Reactome

mTORC1-mediated signalling

Activation of ATR in response to replication stress

Processing of DNA double-strand break ends

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 complex

Apoptotic cleavage of cellular proteins

EPHB-mediated forward signaling

EPHA-mediated growth cone collapse

G alpha (12/13) signalling events

Sema4D induced cell migration and growth-cone collapse

VEGFA-VEGFR2 Pathway

RHO GTPases Activate ROCKs

NOD1/2 Signaling Pathway

p38MAPK events

Activation of PPARGC1A (PGC-1alpha) by phosphorylation

CDO in myogenesis

DSCAM interactions

RAF-independent MAPK1/3 activation

MAPK1 (ERK2) activation

Golgi Cisternae Pericentriolar Stack Reorganization

ERK/MAPK targets

Regulation of actin dynamics for phagocytic cup formation

Oxidative Stress Induced Senescence

Senescence-Associated Secretory Phenotype (SASP)

Oncogene Induced Senescence

FCERI mediated MAPK activation

Regulation of HSF1-mediated heat shock response

NCAM signaling for neurite out-growth

Recycling pathway of L1

CREB phosphorylation through the activation of Ras

Activation of the AP-1 family of transcription factors

Thrombin signalling through proteinase activated receptors (PARs)

Negative regulation of FGFR1 signaling

Negative regulation of FGFR2 signaling

Negative regulation of FGFR3 signaling

Negative regulation of FGFR4 signaling

RHO GTPases Activate WASPs and WAVEs

RAF/MAP kinase cascade

MAP2K and MAPK activation

Negative feedback regulation of MAPK pathway

Negative regulation of MAPK pathway

Signal attenuation

Advanced glycosylation endproduct receptor signaling

Gastrin-CREB signalling pathway via PKC and MAPK

Growth hormone receptor signaling

Stimuli-sensing channels

Calmodulin induced events

Disinhibition of SNARE formation

Regulation of KIT signaling

EGFR Transactivation by Gastrin

Inactivation, recovery and regulation of the phototransduction cascade

Syndecan interactions

Acetylcholine regulates insulin secretion

Ca2+ pathway

Trafficking of GluR2-containing AMPA receptors

G alpha (z) signalling events

Depolymerisation of the Nuclear Lamina

HuR (ELAVL1) binds and stabilizes mRNA

WNT5A-dependent internalization of FZD4

VEGFR2 mediated cell proliferation

Response to elevated platelet cytosolic Ca2+

activated TAK1 mediates p38 MAPK activation

KSRP (KHSRP) binds and destabilizes mRNA

The NLRP3 inflammasome

ADP signalling through P2Y purinoceptor 1

Platelet sensitization by LDL

Activation of BAD and translocation to mitochondria

GPVI-mediated activation cascade

PIP3 activates AKT signaling

Translocation of GLUT4 to the plasma membrane

Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation

AKT phosphorylates targets in the cytosol

AKT phosphorylates targets in the nucleus

Negative regulation of the PI3K/AKT network

eNOS activation

AKT-mediated inactivation of FOXO1A

Integrin alphaIIb beta3 signaling

Deactivation of the beta-catenin transactivating complex

CD28 dependent PI3K/Akt signaling

CTLA4 inhibitory signaling

G beta:gamma signalling through PI3Kgamma

VEGFR2 mediated vascular permeability

TP53 Regulates Metabolic Genes

Constitutive Signaling by AKT1 E17K in Cancer

Phosphorylation of CD3 and TCR zeta chains

Translocation of ZAP-70 to Immunological synapse

Generation of second messenger molecules

PECAM1 interactions

Constitutive Signaling by Aberrant PI3K in Cancer

DAP12 signaling

CD28 co-stimulation

CD28 dependent Vav1 pathway

PD-1 signaling

Interleukin-2 signaling

NRAGE signals death through JNK

NRIF signals cell death from the nucleus

JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1

Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks

WikiPathways

ErbB Signaling Pathway

Interferon type I signaling pathways

G13 Signaling Pathway

IL-2 Signaling Pathway

Insulin Signaling

Cytoplasmic Ribosomal Proteins

EGF/EGFR Signaling Pathway

IL-4 Signaling Pathway

IL-6 signaling pathway

Kit receptor signaling pathway

Apoptosis-related network due to altered Notch3 in ovarian cancer

Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)

BDNF signaling pathway

Interleukin-11 Signaling Pathway

FSH signaling pathway

Leptin signaling pathway

TSH signaling pathway

Signaling by Insulin receptor

TOR Signaling

AMPK Signaling

IL-5 Signaling Pathway

DNA Damage Response

Signaling by SCF-KIT

ATM Signaling Pathway

Retinoblastoma (RB) in Cancer

Integrated Pancreatic Cancer Pathway

Prostate Cancer

Integrated Breast Cancer Pathway

Integrated Cancer pathway

Cell Cycle

Cell Cycle Checkpoints

miRNA Regulation of DNA Damage Response

Regulation of Actin Cytoskeleton

TGF beta Signaling Pathway

Focal Adhesion

JAK/STAT

AGE/RAGE pathway

Pathogenic Escherichia coli infection

Regulation of Microtubule Cytoskeleton

Semaphorin interactions

Integrin-mediated Cell Adhesion

GPCR downstream signaling

Apoptotic execution phase

MicroRNAs in cardiomyocyte hypertrophy

Androgen receptor signaling pathway

Toll-like receptor signaling pathway

MAPK Cascade

MAPK Signaling Pathway

Nanoparticle-mediated activation of receptor signaling

Signal Transduction of S1P Receptor

Parkinsons Disease Pathway

miR-targeted genes in muscle cell - TarBase

miR-targeted genes in lymphocytes - TarBase

NGF signalling via TRKA from the plasma membrane

Myogenesis

DSCAM interactions

Regulation of toll-like receptor signaling pathway

Serotonin Receptor 4/6/7 and NR3C Signaling

Serotonin Receptor 2 and ELK-SRF/GATA4 signaling

Serotonin HTR1 Group and FOS Pathway

Vitamin A and Carotenoid Metabolism

DNA Damage Response (only ATM dependent)

TCR Signaling Pathway

Hypothetical Network for Drug Addiction

Senescence and Autophagy in Cancer

EPO Receptor Signaling

Signaling of Hepatocyte Growth Factor Receptor

TCA Cycle Nutrient Utilization and Invasiveness of Ovarian Cancer

IL-3 Signaling Pathway

Bladder Cancer

Cardiac Hypertrophic Response

MAP kinase activation in TLR cascade

Fc epsilon receptor (FCERI) signaling

Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell

RAF/MAP kinase cascade

Structural Pathway of Interleukin 1 (IL-1)

Genes and (Common) Pathways Underlying Drug Addiction

EBV LMP1 signaling

Nifedipine Activity

Aryl Hydrocarbon Receptor

PDGF Pathway

Alpha 6 Beta 4 signaling pathway

Spinal Cord Injury

Oncostatin M Signaling Pathway

Corticotropin-releasing hormone

TNF alpha Signaling Pathway

B Cell Receptor Signaling Pathway

Signaling Pathways in Glioblastoma

TSLP Signaling Pathway

IL-9 Signaling Pathway

Endothelin Pathways

IL17 signaling pathway

Alzheimers Disease

IL-7 Signaling Pathway

TWEAK Signaling Pathway

RANKL/RANK Signaling Pathway

Opioid Signalling

IL-1 signaling pathway

Thrombin signalling through proteinase activated receptors (PARs)

Signaling by FGFR

L1CAM interactions

Advanced glycosylation endproduct receptor signaling

Heart Development

Type II diabetes mellitus

Angiogenesis

Physiological and Pathological Hypertrophy of the Heart

Osteopontin Signaling

Iron uptake and transport

Calcium Regulation in the Cardiac Cell

Wnt Signaling Pathway

Wnt Signaling Pathway and Pluripotency

Wnt Signaling Pathway Netpath

G Protein Signaling Pathways

Transcriptional activation by NRF2

Myometrial Relaxation and Contraction Pathways

Human Complement System

Syndecan interactions

Regulation of mRNA Stability by Proteins that Bind AU-rich Elements

DAG and IP3 signaling

Gastrin-CREB signalling pathway via PKC and MAPK

T-Cell Receptor and Co-stimulatory Signaling

miRs in Muscle Cell Differentiation

Response to elevated platelet cytosolic Ca2+

Integration of energy metabolism

Nucleotide-binding domain, leucine rich repeat containing receptor (NLR) signaling pathways

Monoamine Transport

Oxidative Stress

p38 MAPK Signaling Pathway

Amyotrophic lateral sclerosis (ALS)

Cardiac Progenitor Differentiation

miR-targeted genes in leukocytes - TarBase

miR-targeted genes in epithelium - TarBase

Signal amplification

Platelet homeostasis

Notch Signaling Pathway

Endochondral Ossification

Copper homeostasis

Extracellular vesicle-mediated signaling in recipient cells

Translocation of GLUT4 to the Plasma Membrane

PIP3 activates AKT signaling

Primary Focal Segmental Glomerulosclerosis FSGS

Apoptosis

SREBP signalling

Metabolism of nitric oxide

TFs Regulate miRNAs related to cardiac hypertrophy

Inflammatory Response Pathway

DAP12 interactions

Host Interactions of HIV factors

TCR signaling

Costimulation by the CD28 family

FAS pathway and Stress induction of HSP regulation

NLR Proteins

Nanoparticle triggered regulated necrosis

Signalling by NGF

Intrinsic Pathway for Apoptosis

Apoptosis Modulation and Signaling

Osteoclast Signaling

References

Top

REF 1

URL: 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. (Ligand id: 6001).

REF 2

Specificity and mechanism of action of some commonly used protein kinase inhibitors. Biochem J. 2000 Oct 1;351(Pt 1):95-105.

REF 3

Synthesis and structure-activity relationships of pyrazolodiazepine derivatives as human P2X7 receptor antagonists. Bioorg Med Chem Lett. 2009 Nov 1;19(21):6053-8.

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