Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNC001301

Drug Information
NameSC-79407
IndicationNot AvailableExperimental    
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C38H38N4O6.C24H28N4O7S/c1-45-33-18-25-14-16-42(23-28(25)19-34(
33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)
21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27;1-27(2)36(33,34
)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)2
2(18)26-35-20(9-11-29)24(31)32/h5-12,17-22H,13-16,23H2,1-4H3,(H,4
0,44)(H,41,43);4-7,12,20,29H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30
)
InChIKeyACHIJKVHJLXHRS-UHFFFAOYSA-N
Canonical SMILESCN1CCC2=C(C1)C3=NC(=O)C(=C3C=C2C4=CC=C(C=C4)S(=O)(=O)N(C)C)NOC(CCO)C(=O)
O.COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=
CC=CC=C6N=C5)OC)OC)OC    
CAS NumberCAS 206873-63-4
PubChem Compound IDCID 24755617.
TargetThrombinInhibitor[1]
Ref 1Pharmacological intervention at disparate sites in the coagulation cascade: comparison of anti-thrombotic efficacy vs bleeding propensity in a rat model of acute arterial thrombosis. J Thromb Thrombolysis. 2002 Oct;14(2):113-21. 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