D8G

6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one

Created: 2009-04-24
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count40
Aromatic Bond Count15
2D diagram of D8G
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Chemical Component Summary

Name6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
Systematic Name (OpenEye OEToolkits)n/a
FormulaC17 H14 F N3 O S
Molecular Weight327.376
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Fc1ccccc1CN2N=Cc4c(C2=O)n(c3c4sc(c3)C)C
SMILESCACTVS3.341Cn1c2cc(C)sc2c3C=NN(Cc4ccccc4F)C(=O)c13
SMILESOpenEye OEToolkits1.5.0Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F
Canonical SMILESCACTVS3.341 Cn1c2cc(C)sc2c3C=NN(Cc4ccccc4F)C(=O)c13
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F
InChIInChI1.03 InChI=1S/C17H14FN3OS/c1-10-7-14-16(23-10)12-8-19-21(17(22)15(12)20(14)2)9-11-5-3-4-6-13(11)18/h3-8H,9H2,1-2H3
InChIKeyInChI1.03 IEWYEWDDQWYJLU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07628 
Name6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
Groups experimental
Synonyms6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one

Drug Targets

NameTarget SequencePharmacological ActionActions
Pyruvate kinase PKMMSKPHSEAGTAFIQTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICT...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 654376
ChEMBL CHEMBL1084625
ChEBI CHEBI:93430