OTA

2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID

Created: 2000-04-18
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count29
Aromatic Bond Count5
2D diagram of OTA
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Chemical Component Summary

Name2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)2-(carboxycarbonylamino)-4,5,6,7-tetrahydrothieno[5,4-c]pyridine-3-carboxylic acid
FormulaC10 H10 N2 O5 S
Molecular Weight270.262
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2
SMILESCACTVS3.341OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O
SMILESOpenEye OEToolkits1.5.0C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O
InChIInChI1.03 InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyInChI1.03 ZIBMATWHOAGNTR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03670 
Name2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid
Groups experimental
Synonyms2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine-protein phosphatase non-receptor type 1MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL139393
PubChem 444766
ChEMBL CHEMBL139393