Chemical Component Summary

Name(2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}
Identifiers(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
Isomeric SMILESc1ccc2c(c1)/C(=C/3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N2
InChIInChI=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
InChIKeyRKUMZEVCWKZXFV-YOCZKUTFSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count1
Bond Count49
Aromatic Bond Count12

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