Drug Information

Drug General Information
Drug ID
D0R8LM
Former ID
DIB019534
Drug Name
compound 52
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534671], [541236]
Formula
C16H19ClN6O
InChI
InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
InChIKey
XZEFMZCNXDQXOZ-UHFFFAOYSA-N
PubChem Compound ID
2856
PubChem Substance ID
4775657, 8151832, 10319005, 10319006, 11538436, 14802707, 17137225, 24892506, 26758490, 29222011, 46530425, 48334282, 53258909, 53800937, 85787134, 99302682, 99351045, 99444796, 103279285, 104007967, 104301817, 121367721, 129762024, 137183919, 142430747, 160969373, 162225871, 163080226, 163620829, 163686157, 163688346, 163782654, 170481904, 175607471, 178102578, 179148476, 184824994, 208265144, 227417017, 252451027, 252480195
Target and Pathway
Target(s) Cell division control protein 2 homolog Target Info Inhibitor [534671]
Glycogen synthase kinase-3 beta Target Info Inhibitor [529213]
KEGG Pathway Cell cycle
Oocyte meiosis
p53 signaling pathway
Gap junction
Progesterone-mediated oocyte maturation
Herpes simplex infection
Epstein-Barr virus infection
Viral carcinogenesishsa04012:ErbB signaling pathway
Chemokine signaling pathway
PI3K-Akt signaling pathway
Wnt signaling pathway
Hedgehog signaling pathway
Axon guidance
Hippo signaling pathway
Focal adhesion
Signaling pathways regulating pluripotency of stem cells
T cell receptor signaling pathway
B cell receptor signaling pathway
Neurotrophin signaling pathway
Dopaminergic synapse
Insulin signaling pathway
Melanogenesis
Prolactin signaling pathway
Thyroid hormone signaling pathway
Non-alcoholic fatty liver disease (NAFLD)
Alzheimer's disease
Hepatitis C
Measles
Influenza A
HTLV-I infection
Pathways in cancer
Colorectal cancer
Endometrial cancer
Prostate cancer
Basal cell carcinoma
NetPath Pathway RANKL Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Angiogenesis
Cadherin signaling pathway
Hedgehog signaling pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Insulin/IGF pathway-protein kinase B signaling cascade
Interleukin signaling pathway
PDGF signaling pathway
PI3 kinase pathway
Wnt signaling pathway
Ras Pathway
CCKR signaling map ST
Pathway Interaction Database p73 transcription factor network
E2F transcription factor network
PLK1 signaling events
AP-1 transcription factor network
FOXM1 transcription factor network
Retinoic acid receptors-mediated 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
Signaling events mediated by Stem cell factor receptor (c-Kit)
Validated transcriptional targets of deltaNp63 isoforms
Aurora A signaling
Insulin-mediated glucose transport
Class I PI3K signaling events mediated by Akt
p53 pathway
Trk receptor signaling mediated by PI3K and PLC-gamma
Reactome MAPK3 (ERK1) activation
E2F mediated regulation of DNA replication
G0 and Early G1
Cyclin B2 mediated events
Golgi Cisternae Pericentriolar Stack Reorganization
Cdc20:Phospho-APC/C mediated degradation of Cyclin A
Regulation of APC/C activators between G1/S and early anaphase
Phosphorylation of the APC/C
Phosphorylation of Emi1
Condensation of Prophase Chromosomes
MASTL Facilitates Mitotic Progression
Resolution of Sister Chromatid Cohesion
Condensation of Prometaphase Chromosomes
Regulation of PLK1 Activity at G2/M Transition
Activation of NIMA Kinases NEK9, NEK6, NEK7
Loss of Nlp from mitotic centrosomes
Recruitment of mitotic centrosome proteins and complexes
Loss of proteins required for interphase microtubule organization?from the centrosome
Recruitment of NuMA to mitotic centrosomes
Depolymerisation of the Nuclear Lamina
Anchoring of the basal body to the plasma membrane
MAPK6/MAPK4 signaling
G1/S-Specific Transcription
Cyclin A/B1 associated events during G2/M transition
G2/M DNA replication checkpoint
Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complexR-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 Cancer
WikiPathways DNA Damage Response
G1 to S cell cycle control
TGF beta Signaling Pathway
PPAR Alpha Pathway
MAP kinase activation in TLR cascade
RAF/MAP kinase cascade
Mitotic Prophase
Mitotic Prometaphase
BMI1
ATM Signaling Pathway
Retinoblastoma (RB) in Cancer
Spinal Cord Injury
Prostate Cancer
Regulation of Microtubule Cytoskeleton
Integrated Cancer pathway
Mitotic G2-G2/M phases
Mitotic G1-G1/S phases
Cell Cycle
APC/C-mediated degradation of cell cycle proteins
Cell Cycle Checkpoints
miRNA Regulation of DNA Damage ResponseWP710:DNA Damage Response (only ATM dependent)
Senescence and Autophagy in Cancer
Notch Signaling Pathway
Glycogen Metabolism
Insulin Signaling
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)
Cardiac Hypertrophic Response
Degradation of beta-catenin by the destruction complex
T-Cell Receptor and Co-stimulatory Signaling
Cardiac Progenitor Differentiation
BDNF signaling pathway
Corticotropin-releasing hormone
B Cell Receptor Signaling Pathway
IL17 signaling pathway
Neural Crest Differentiation
Alzheimers Disease
IL-7 Signaling Pathway
TWEAK Signaling Pathway
Leptin signaling pathway
Semaphorin interactions
MicroRNAs in cardiomyocyte hypertrophy
Androgen receptor signaling pathway
IL-5 Signaling Pathway
References
Ref 534671Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors. Science. 1998 Jul 24;281(5376):533-8.
Ref 541236(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: 5955).
Ref 529213Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20523-8. Epub 2007 Dec 11.A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Ref 534671Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors. Science. 1998 Jul 24;281(5376):533-8.

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