GQL

(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol

Created: 2009-05-27
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count44
Aromatic Bond Count19
2D diagram of GQL
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Chemical Component Summary

Name(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
Systematic Name (OpenEye OEToolkits)(E)-[4-(3,5-difluorophenyl)pyrrolo[5,4-b]pyridin-3-ylidene]-(3-methoxyphenyl)methanol
FormulaC21 H14 F2 N2 O2
Molecular Weight364.345
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Fc4cc(c1ccnc2N=CC(\c12)=C(\O)c3cccc(OC)c3)cc(F)c4
SMILESCACTVS3.341COc1cccc(c1)C(O)=C2C=Nc3nccc(c4cc(F)cc(F)c4)c23
SMILESOpenEye OEToolkits1.5.0COc1cccc(c1)C(=C2C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)O
Canonical SMILESCACTVS3.341 COc1cccc(c1)/C(O)=C/2C=Nc3nccc(c4cc(F)cc(F)c4)c/23
Canonical SMILESOpenEye OEToolkits1.5.0 COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)/O
InChIInChI1.03 InChI=1S/C21H14F2N2O2/c1-27-16-4-2-3-12(9-16)20(26)18-11-25-21-19(18)17(5-6-24-21)13-7-14(22)10-15(23)8-13/h2-11,26H,1H3/b20-18-
InChIKeyInChI1.03 HQMUBYFTZASKLP-ZZEZOPTASA-N

Drug Info: DrugBank

DrugBank IDDB07840 
Name(E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
Groups experimental
Synonyms(E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol

Drug Targets

NameTarget SequencePharmacological ActionActions
Fibroblast growth factor receptor 1MWSWKCLLFWAVLVTATLCTARPSPTLPEQAQPWGAPVEVESFLVHPGDL...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