FEF

(2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}

Created: 2008-07-30
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count1
Bond Count49
Aromatic Bond Count12
2D diagram of FEF
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Chemical Component Summary

Name(2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}
Systematic Name (OpenEye OEToolkits)(3Z)-3-[(3E)-3-[(3R)-3,4-dihydroxybutoxy]imino-1H-indol-2-ylidene]-1H-indol-2-one
FormulaC20 H19 N3 O4
Molecular Weight365.383
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C2C(\c1ccccc1N2)=C4\C(=N\OCCC(O)CO)\c3ccccc3N4
SMILESCACTVS3.341OC[CH](O)CCON=C1C(Nc2ccccc12)=C3C(=O)Nc4ccccc34
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=C3C(=NOCCC(CO)O)c4ccccc4N3)C(=O)N2
Canonical SMILESCACTVS3.341 OC[C@H](O)CCO/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4ccccc34
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)/C(=C/3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N2
InChIInChI1.03 InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,24-25H,9-11H2,(H,22,26)/b19-17-,23-18+/t12-/m1/s1
InChIKeyInChI1.03 RKUMZEVCWKZXFV-YOCZKUTFSA-N

Drug Info: DrugBank

DrugBank IDDB07766 
Name(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime}
Groups experimental
Synonyms(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime}

Drug Targets

NameTarget SequencePharmacological ActionActions
Calcium/calmodulin-dependent protein kinase type II subunit alphaMATITCTRFTEEYQLFEELGKGAFSVVRRCVKVLAGQEYAAKIINTKKLS...unknown
Cyclin-dependent kinase 16MDRMKKIKRQLSMTLRGGRGIDKTNGAPEQIGLDESGGGGGSDPGEAPTR...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