TTD | Drug: D07HRP

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]
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]
Target(s)	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 534788	Bioorg Med Chem Lett. 1998 May 5;8(9):1019-22.Design of new inhibitors for cdc2 kinase based on a multiple pseudosubstrate structure.
Ref 534788	Bioorg 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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Drug Information