Drug Information

Drug General Information
Drug ID
D01UMT
Former ID
DCL000366
Drug Name
Ro 31-7453
Synonyms
Bisindolylmaleimide deriv. 44; MKC-1; Ro-31-7453; 3-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione
Drug Type
Small molecular drug
Indication Solid tumours [ICD9: 140-199, 210-229; ICD10:C00-D48] Phase 2 [531583]
Therapeutic Class
Anticancer Agents
Company
Hoffmann La Roche
Structure
Download
2D MOL

3D MOL
Formula
C22H16N4O4
Canonical SMILES
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5<br />)[N+](=O)[O-])C
InChI
1S/C22H16N4O4/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-9-12(26(29)30)7-8-14(16)18/h3-11H,1-2H3,(H,23,27,28)
InChIKey
OVSKGTONMLKNPZ-UHFFFAOYSA-N
CAS Number
CAS 443912-18-3
PubChem Compound ID
5327686
PubChem Substance ID
8032392, 11060233, 14854715, 39300319, 52196594, 87550963, 103239096, 113907473, 128868698, 134339016, 135362948, 140926865, 142220978, 180389253, 198944951, 225112161, 226910178, 242839743, 252215829
Target and Pathway
Target(s) Cell division protein kinase 4 Target Info Inhibitor [536474]
Cell division protein kinase 2 Target Info Inhibitor [536474]
Cell division control protein 2 homolog Target Info Inhibitor [536474]
KEGG Pathway Cell cycle
p53 signaling pathway
PI3K-Akt signaling pathway
Tight junction
T cell receptor signaling pathway
Hepatitis B
Measles
HTLV-I infection
Pathways in cancer
Viral carcinogenesis
Pancreatic cancer
Glioma
Melanoma
Bladder cancer
Chronic myeloid leukemia
Small cell lung cancer
Non-small cell lung cancerhsa04068:FoxO signaling pathway
Oocyte meiosis
Progesterone-mediated oocyte maturation
Herpes simplex infection
Epstein-Barr virus infection
Prostate cancer
Small cell lung cancerhsa04110:Cell cycle
Gap junction
NetPath Pathway TCR Signaling Pathway
EGFR1 Signaling Pathway
RANKL Signaling PathwayNetPath_11:TCR Signaling PathwayNetPath_21:RANKL Signaling Pathway
PANTHER Pathway p53 pathway
p53 pathway feedback loops 2
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling
Calcineurin-regulated NFAT-dependent transcription in lymphocytes
Validated targets of C-MYC transcriptional activation
ATF-2 transcription factor network
FOXM1 transcription factor network
Regulation of retinoblastoma proteinsmad2_3nuclearpathway: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
BARD1 signaling events
p53 pathway
Regulation of retinoblastoma proteinp73pathway:p73 transcription factor network
PLK1 signaling events
AP-1 transcription factor network
Retinoic acid receptors-mediated signaling
Reactome Oxidative Stress Induced Senescence
Senescence-Associated Secretory Phenotype (SASP)
Oncogene Induced Senescence
RMTs methylate histone arginines
Transcriptional regulation of white adipocyte differentiation
Ubiquitin-dependent degradation of Cyclin D1
Cyclin D associated events in G1
Meiotic recombinationR-HSA-1538133: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
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-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
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
G1 to S cell cycle control
Ovarian Infertility Genes
PPAR Alpha Pathway
Bladder Cancer
S Phase
Transcriptional Regulation of White Adipocyte Differentiation
Meiotic Recombination
Retinoblastoma (RB) in Cancer
Spinal Cord Injury
Integrated Pancreatic Cancer Pathway
Prostate Cancer
Signaling Pathways in Glioblastoma
TSH signaling pathway
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Mitotic G1-G1/S phases
Cell Cycle
miRNA Regulation of DNA Damage ResponseWP707:DNA Damage Response
ID signaling pathway
DNA Replication
M/G1 Transition
Aryl Hydrocarbon Receptor
ATM Signaling Pathway
Oncostatin M Signaling Pathway
Synthesis of DNA
Regulation of DNA replication
Mitotic G2-G2/M phases
Factors involved in megakaryocyte development and platelet production
APC/C-mediated degradation of cell cycle proteins
Cell Cycle Checkpoints
TGF beta Signaling 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 531583A phase 2 study of oral MKC-1, an inhibitor of importin-beta, tubulin, and the mTOR pathway in patients with unresectable or metastatic pancreatic cancer. Invest New Drugs. 2012 Aug;30(4):1614-20.
Ref 536474A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.

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