Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNC004422

Drug Information
Name3,4-bis(indol-3-yl)maleimide derivative
IndicationNot AvailableExperimental    
Structure

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InChI1S/C49H66N10O9S/c1-31(60)54-39(49(66)59-21-11-18-41(59)46(63)56-3
8(16-8-10-20-51)45(62)55-37(44(61)52-2)15-7-9-19-50)30-69-27-26-6
8-25-24-67-23-22-58-29-35(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/h3-6,12-14,17,28-29,37-39,4
1,53H,7-11,15-16,18-27,30,50-51H2,1-2H3,(H,52,61)(H,54,60)(H,55,6
2)(H,56,63)(H,57,64,65)/t37-,38-,39-,41-/m0/s1
InChIKeyHOAREJUGBLUUJD-MJSJRNKMSA-N
Canonical SMILESCC(=O)NC(CSCCOCCOCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)
C(=O)N6CCCC6C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC    
Isomeric SMILESCC(=O)N[C@@H](CSCCOCCOCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=
CC=C54)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC
TargetCyclin-dependent kinase 1Inhibitor[1]
G2/mitotic-specific cyclin B1Inhibitor[1]
Ref 1Bioorg Med Chem Lett. 1998 May 5;8(9):1019-22.Design of new inhibitors for cdc2 kinase based on a multiple pseudosubstrate structure. To Reference



 

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