SU9

(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE

Created: 2003-05-27
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count31
Aromatic Bond Count11
2D diagram of SU9
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Chemical Component Summary

Name(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE
SynonymsSU9516
Systematic Name (OpenEye OEToolkits)(3Z)-3-(3H-imidazol-4-ylmethylidene)-5-methoxy-1H-indol-2-one
FormulaC13 H11 N3 O2
Molecular Weight241.245
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C/1Nc3ccc(OC)cc3C\1=C/c2cncn2
SMILESCACTVS3.341COc1ccc2NC(=O)C(=Cc3[nH]cnc3)c2c1
SMILESOpenEye OEToolkits1.5.0COc1ccc2c(c1)C(=Cc3cnc[nH]3)C(=O)N2
Canonical SMILESCACTVS3.341 COc1ccc2NC(=O)\C(=C/c3[nH]cnc3)c2c1
Canonical SMILESOpenEye OEToolkits1.5.0 COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2
InChIInChI1.03 InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
InChIKeyInChI1.03 QNUKRWAIZMBVCU-WCIBSUBMSA-N

Drug Info: DrugBank

DrugBank IDDB03428 
NameSU9516
Groups experimental
SynonymsSU9516
CategoriesHeterocyclic Compounds, Fused-Ring

Drug Targets

NameTarget SequencePharmacological ActionActions
Cyclin-dependent kinase 2MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...unknowninhibitor
Cyclin-dependent kinase 5MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALR...unknowninhibitor
Cyclin-dependent kinase 1MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIR...unknownbinder
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 CHEMBL258805
PubChem 5289419
ChEMBL CHEMBL258805
ChEBI CHEBI:113546