Drug Information

Drug General Information
Drug ID
D09KFR
Former ID
DNC011085
Drug Name
(S)-dimethylenastron
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531008]
Structure
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2D MOL

3D MOL
Formula
C16H18N2O2S
Canonical SMILES
CC1(CC2=C(C(NC(=S)N2)C3=CC(=CC=C3)O)C(=O)C1)C
InChI
1S/C16H18N2O2S/c1-16(2)7-11-13(12(20)8-16)14(18-15(21)17-11)9-4-3-5-10(19)6-9/h3-6,14,19H,7-8H2,1-2H3,(H2,17,18,21)/t14-/m0/s1
InChIKey
RUOOPLOUUAYNPY-AWEZNQCLSA-N
PubChem Compound ID
49863704
Target and Pathway
Target(s) mRNA of kinesin spindle protein Target Info Inhibitor [531008]
Reactome MHC class II antigen presentation
Kinesins
WikiPathways MHC class II antigen presentation
Kinesins
References
Ref 531008J Med Chem. 2010 Aug 12;53(15):5676-83.Structural basis for inhibition of Eg5 by dihydropyrimidines: stereoselectivity of antimitotic inhibitors enastron, dimethylenastron and fluorastrol.
Ref 531008J Med Chem. 2010 Aug 12;53(15):5676-83.Structural basis for inhibition of Eg5 by dihydropyrimidines: stereoselectivity of antimitotic inhibitors enastron, dimethylenastron and fluorastrol.

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