Drug Information

Drug General Information
Drug ID
D07OCA
Former ID
DIB019093
Drug Name
Cdk1/2 inhibitor III
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541230]
Structure
Download
2D MOL
Formula
C15H13F2N7O2S2
InChI
InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
InChIKey
ARIOBGGRZJITQX-UHFFFAOYSA-N
PubChem Compound ID
5330812
PubChem Substance ID
8036444, 10319009, 10322501, 11062423, 14807254, 17137116, 17404500, 24277276, 26758399, 39303426, 51856082, 81065877, 85256589, 92765174, 99302653, 99444135, 103567087, 113916310, 131465431, 137184744, 141130627, 160968734, 161003580, 163124162, 163688437, 170481536, 175607462, 178102569, 180371687, 204377878, 227610506, 248917909, 252082209
Target and Pathway
Target(s) mRNA of VEGFR1 Target Info Inhibitor [527600]
Cell division control protein 2 homolog Target Info Inhibitor [527600]
Cell division protein kinase 2 Target Info Inhibitor [527600]
KEGG Pathway Ras signaling pathway
Rap1 signaling pathway
Cytokine-cytokine receptor interaction
HIF-1 signaling pathway
Endocytosis
PI3K-Akt signaling pathway
Focal adhesion
Transcriptional misregulation in cancer
Rheumatoid arthritishsa04110:Cell cycle
Oocyte meiosis
p53 signaling pathway
Gap junction
Progesterone-mediated oocyte maturation
Herpes simplex infection
Epstein-Barr virus infection
Viral carcinogenesishsa04068:FoxO signaling pathway
Cell cycle
Hepatitis B
Measles
Pathways in cancer
Viral carcinogenesis
Prostate cancer
Small cell lung cancer
NetPath Pathway RANKL Signaling PathwayNetPath_11:TCR Signaling Pathway
PANTHER Pathway p53 pathway
p53 pathway feedback loops 2
Pathway Interaction Database Glypican 1 network
HIF-2-alpha transcription factor network
S1P3 pathway
VEGF and VEGFR signaling network
VEGFR1 specific signals
Signaling events mediated by VEGFR1 and VEGFR2p73pathway:p73 transcription factor network
E2F transcription factor network
PLK1 signaling events
AP-1 transcription factor network
FOXM1 transcription factor network
Retinoic acid receptors-mediated signalingsmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
Signaling events mediated by PRL
p73 transcription factor network
ATR signaling pathway
mTOR signaling pathway
IL2-mediated signaling events
FoxO family signaling
BARD1 signaling events
p53 pathway
Regulation of retinoblastoma protein
Reactome Neurophilin interactions with VEGF and VEGFR
VEGF binds to VEGFR leading to receptor dimerizationR-HSA-110056: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-1538133:G0 and Early G1
Activation of ATR in response to replication stress
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
p53-Dependent G1 DNA Damage Response
Cyclin A:Cdk2-associated events at S phase entry
Meiotic recombination
Factors involved in megakaryocyte development and platelet production
WikiPathways Focal Adhesion
Signaling by VEGF
AngiogenesisWP707: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 ResponseWP707:DNA Damage Response
ID signaling pathway
DNA Replication
M/G1 Transition
S Phase
Meiotic Recombination
Aryl Hydrocarbon Receptor
Integrated Pancreatic Cancer Pathway
Oncostatin M Signaling Pathway
Signaling Pathways in Glioblastoma
TSH signaling pathway
Integrated Breast Cancer Pathway
Synthesis of DNA
Regulation of DNA replication
Factors involved in megakaryocyte development and platelet production
miRNA Regulation of DNA Damage Response
References
Ref 541230(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: 5946).
Ref 5276001-Acyl-1H-[1,2,4]triazole-3,5-diamine analogues as novel and potent anticancer cyclin-dependent kinase inhibitors: synthesis and evaluation of biological activities. J Med Chem. 2005 Jun 30;48(13):4208-11.

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