Drug Information

Drug General Information
Drug ID
D05ADP
Former ID
DCL001080
Drug Name
R-roscovitine
Synonyms
RRC; Rosco; Roscovitine; Seliciclib; CYC 202; CYC202; M02443; BMK1-E12; CYC-202; InSolution™ CYC202, Seliciclib, R-roscovitine, Roscovitine; (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol; (2r)-2-{[6-(benzylamino)-9-isopropyl-9h-purin-2-yl]amino}-1-butanol; (R)-roscovitine; 2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; 2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol; 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-(R)-1-butanol; 6-(Benzylamino)-2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine
Drug Type
Small molecular drug
Indication Cancer [ICD9: 140-229; ICD10:C00-C96] Phase 2 [524796]
Company
Cyclacel
Structure
Download
2D MOL

3D MOL
Formula
C19H26N6O
Canonical SMILES
CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C
InChI
1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
InChIKey
BTIHMVBBUGXLCJ-OAHLLOKOSA-N
CAS Number
CAS 186692-46-6
PubChem Compound ID
160355
PubChem Substance ID
527377, 584365, 610560, 6436229, 7890318, 10253958, 11108321, 11120183, 11120671, 11121159, 11121724, 11122204, 11147266, 11362832, 11365394, 11367956, 11370895, 11370896, 11373557, 11376118, 11440772, 12015583, 14719432, 14720319, 14778719, 14876445, 24278682, 26753649, 26753650, 26759456, 26759458, 46235405, 46393775, 47364935, 47364936, 47439996, 47736219, 47736220, 48034852, 48034853, 48184761, 50066372, 50087155, 50100113, 50107006, 50107007, 53789190, 57349053, 68533699, 80722361
Target and Pathway
Target(s) Cell division protein kinase 2 Target Info Inhibitor [537564]
Cell division protein kinase 7 Target Info Inhibitor [537564]
Cell division control protein 2 homolog Target Info Inhibitor [537564]
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 cancerhsa03022:Basal transcription factors
Nucleotide excision repair
Cell cyclehsa04110:Cell cycle
Gap junction
NetPath Pathway TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
RANKL Signaling PathwayNetPath_21:RANKL 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 proteinretinoic_acid_pathway:Retinoic acid receptors-mediated signalingp73pathway:p73 transcription factor network
PLK1 signaling events
AP-1 transcription factor network
Retinoic acid receptors-mediated signaling
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-427413:NoRC negatively regulates rRNA expression
Formation of TC-NER Pre-Incision Complex
Dual incision in TC-NER
Gap-filling DNA repair synthesis and ligation in TC-NER
Cyclin D associated events in G1
RNA Polymerase I Transcription InitiationR-HSA-110056:MAPK3 (ERK1) activation
E2F mediated regulation of DNA replication
Cyclin B2 mediated events
Golgi Cisternae Pericentriolar Stack Reorganization
Cdc20:Phospho-APC/C mediated degradation of Cyclin A
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
G2/M DNA replication checkpoint
Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex
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 ResponseWP45:G1 to S cell cycle control
Eukaryotic Transcription Initiation
Cardiac Hypertrophic Response
HIV Life Cycle
Nucleotide Excision Repair
RNA Polymerase II Transcription
RNA Polymerase I, RNA Polymerase III, and Mitochondrial Transcription
mRNA Capping
MicroRNAs in cardiomyocyte hypertrophyWP707:DNA Damage Response
TGF beta Signaling Pathway
PPAR Alpha Pathway
MAP kinase activation in TLR cascade
RAF/MAP kinase cascade
Mitotic Prophase
Mitotic Prometaphase
BMI1
Regulation of Microtubule Cytoskeleton
miRNA Regulation of DNA Damage Response
References
Ref 524796ClinicalTrials.gov (NCT02160730) Treatment of Cushing's Disease With R-roscovitine. U.S. National Institutes of Health.
Ref 537564Cell cycle kinases as therapeutic targets for cancer. Nat Rev Drug Discov. 2009 Jul;8(7):547-66.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.