3G3

2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione

Created: 2009-02-03
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count29
Aromatic Bond Count11
2D diagram of 3G3
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Chemical Component Summary

Name2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Systematic Name (OpenEye OEToolkits)2-[2-(1H-1,2,3,4-tetrazol-5-yl)ethyl]isoindole-1,3-dione
FormulaC11 H9 N5 O2
Molecular Weight243.221
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1N(C(=O)c2ccccc12)CCc3nnnn3
SMILESCACTVS3.341O=C1N(CCc2[nH]nnn2)C(=O)c3ccccc13
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3
Canonical SMILESCACTVS3.341 O=C1N(CCc2[nH]nnn2)C(=O)c3ccccc13
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3
InChIInChI1.03 InChI=1S/C11H9N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2,(H,12,13,14,15)
InChIKeyInChI1.03 DEOJDUHRJBKATO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07055 
Name2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Groups experimental
Synonyms2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-lactamaseMVTKRVQRMMFAAAACIPLLLGSAPLYAQTSAVQQKLAALEKSSGGRLGV...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
PubChem 1289593
ChEMBL CHEMBL1213406