Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNC000399

Drug Information
NameCEP-1347
IndicationMotor symptoms and Parkinsoní»s disease
[ICD9: 332, 335.2   ICD10: F02.3, G12.2, G20]
Experimental    
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C33H33N3O5S2/c1-5-42-15-17-7-9-23-19(11-17)27-28-21(14-34-31(2
8)37)26-20-12-18(16-43-6-2)8-10-24(20)36-30(26)29(27)35(23)25-13-
22(32(38)41-39-4)33(36,3)40-25/h7-12,22,25H,5-6,13-16H2,1-4H3,(H,
34,37)/t22-,25+,33+/m1/s1
InChIKeyWMBUVOLZSWTKMP-KQFGJPIXSA-N
Canonical SMILESCCSCC1=CC2=C(C=C1)N3C4CC(C(O4)(N5C6=C(C=C(C=C6)CSCC)C7=C8CNC(=O)C8=C2C3=
C75)C)C(=O)OOC    
Isomeric SMILESCCSCC1=CC2=C(C=C1)N3[C@@H]4C[C@@H]([C@](O4)(N5C6=C(C=C(C=C6)CSCC)C7=
C8CNC(=O)C8=C2C3=C75)C)C(=O)OOC
CAS NumberCAS 156177-65-0
PubChem Compound IDCID 133005.
PubChem Substance IDSID 709313.
TargetJNK1Inhibitor[1]
Ref 1Emerging drugs for Parkinson's disease. Expert Opin Emerg Drugs. 2006 Sep;11(3):403-17. To Reference



 

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.


Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543