Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DCL000287

Drug Information
NameATL-146e
CompanyCV Therapeutics
IndicationGastric diseases
[ICD9: 536, 750   ICD10: K30-K31, Q40-Q41]
Discontinued    
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-1
9(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,
16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12?,13?,
16-,17+,18-,22?/m0/s1
InChIKeyFLEVIENZILQUKB-QESAYZNISA-N
Canonical SMILESCCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CCC4CCC(CC4)C(=O)OC)O)O    
Isomeric SMILESCCNC(=O)[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C2N=C(N=C3N)C#CCC4CCC(CC4)C(=O)
OC)O)O
FormulaC23H30N6O6
PubChem Compound IDCID 56841107.
TargetAdenosine A2a receptorAgonist[1]
Ref 1Selective A(2A) adenosine receptor activation reduces skin pressure ulcer formation and inflammation. Am J Physiol Heart Circ Physiol. 2001 Jul;281(1):H67-74. 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