Drug Information

Drug General Information
Drug ID
D0S3CM
Former ID
DNC009434
Drug Name
NU-6086
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530065]
Structure
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2D MOL

3D MOL
Formula
C18H21N5O2
Canonical SMILES
C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)O
InChI
1S/C18H21N5O2/c24-14-8-6-13(7-9-14)21-18-22-16-15(19-11-20-16)17(23-18)25-10-12-4-2-1-3-5-12/h6-9,11-12,24H,1-5,10H2,(H2,19,20,21,22,23)
InChIKey
RFSDQDHHBKYQOD-UHFFFAOYSA-N
PubChem Compound ID
447649
Target and Pathway
Target(s) Cell division protein kinase 2 Target Info Inhibitor [530065]
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 cancer
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway p53 pathway
p53 pathway feedback loops 2
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 protein
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 production
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 Response
References
Ref 530065J Med Chem. 2009 May 14;52(9):2854-62.Halogen bonding--a novel interaction for rational drug design?.
Ref 530065J Med Chem. 2009 May 14;52(9):2854-62.Halogen bonding--a novel interaction for rational drug design?.

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