Drug Information

Drug General Information
Drug ID
D07HRP
Former ID
DNC004422
Drug Name
3,4-bis(indol-3-yl)maleimide derivative
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534788]
Structure
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2D MOL

3D MOL
Formula
C49H66N10O9S
Canonical SMILES
CC(=O)NC(CSCCOCCOCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C<br />4=CNC5=CC=CC=C54)C(=O)N6CCCC6C(=O)NC(CCCCN)C(=O)NC(CCCC<br />N)C(=O)NC
InChI
1S/C49H66N10O9S/c1-31(60)54-39(49(66)59-21-11-18-41(59)46(63)56-38(16-8-10-20-51)45(62)55-37(44(61)52-2)15-7-9-19-50)30-69-27-26-68-25-24-67-23-22-58-29-35(33-13-4-6-17-40(33)58)43-42(47(64)57-48(43)65)34-28-53-36-14-5-3-12-32(34)36/h3-6,12-14,17,28-29,37-39,41,53H,7-11,15-16,18-27,30,50-51H2,1-2H3,(H,52,61)(H,54,60)(H,55,62)(H,56,63)(H,57,64,65)/t37-,38-,39-,41-/m0/s1
InChIKey
HOAREJUGBLUUJD-MJSJRNKMSA-N
PubChem Compound ID
10033891
Target and Pathway
Target(s) Cell division control protein 2 homolog Target Info Inhibitor [534788]
G2/mitotic-specific cyclin B1 Target Info Inhibitor [534788]
KEGG Pathway 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
NetPath Pathway RANKL Signaling PathwayNetPath_11:TCR Signaling Pathway
PANTHER Pathway p53 pathway
Pathway Interaction Database p73 transcription factor network
E2F transcription factor network
PLK1 signaling events
AP-1 transcription factor network
FOXM1 transcription factor network
Retinoic acid receptors-mediated signalingp73pathway:p73 transcription factor network
Validated targets of C-MYC transcriptional activation
FoxO family signaling
Direct p53 effectors
C-MYB transcription factor network
Reactome 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-156711:Polo-like kinase mediated events
Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex
WikiPathways 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
miRNA Regulation of DNA Damage Response
AMPK Signaling
References
Ref 534788Bioorg Med Chem Lett. 1998 May 5;8(9):1019-22.Design of new inhibitors for cdc2 kinase based on a multiple pseudosubstrate structure.
Ref 534788Bioorg Med Chem Lett. 1998 May 5;8(9):1019-22.Design of new inhibitors for cdc2 kinase based on a multiple pseudosubstrate structure.

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