Drug Information

Drug General Information
Drug ID
D0SJ6Y
Former ID
DNC003929
Drug Name
NU-2058
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528372]
Structure
Download

3D MOL
Formula
C12H17N5O
Canonical SMILES
C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N
InChI
1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
InChIKey
MWGXGTJJAOZBNW-UHFFFAOYSA-N
PubChem Compound ID
4564
Target and Pathway
Target(s) Cell division protein kinase 2 Target Info Inhibitor [528372]
Cyclin-A2 Target Info Inhibitor [527129]
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 cancerhsa03030:DNA replication
Base excision repair
Nucleotide excision repair
Mismatch repair
HTLV-I infection
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
PathWhiz Pathway Nucleotide Excision Repair
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-113510:E2F mediated regulation of DNA replication
Cdc20:Phospho-APC/C mediated degradation of Cyclin A
Mismatch repair (MMR) directed by MSH2:MSH6 (MutSalpha)
Mismatch repair (MMR) directed by MSH2:MSH3 (MutSbeta)
HDR through Homologous Recombination (HRR)
Dual Incision in GG-NER
Dual incision in TC-NER
Gap-filling DNA repair synthesis and ligation in TC-NER
G1/S-Specific Transcription
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 ResponseWP615:Senescence and Autophagy in Cancer
Mismatch repair
EGF/EGFR Signaling Pathway
Nifedipine Activity
Primary Focal Segmental Glomerulosclerosis FSGS
Nucleotide Excision Repair
Telomere Maintenance
Base Excision Repair
References
Ref 528372J Med Chem. 2006 Aug 24;49(17):5141-53.Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations.
Ref 527129J Med Chem. 2004 Jul 15;47(15):3710-22.N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2.
Ref 528372J Med Chem. 2006 Aug 24;49(17):5141-53.Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations.