BRW

6-BROMOINDIRUBIN-3'-OXIME

Created: 2004-01-14
Last modified:  2020-06-05

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count35
Aromatic Bond Count12
2D diagram of BRW
Toggle HydrogenToggle Labels

Chemical Component Summary

Name6-BROMOINDIRUBIN-3'-OXIME
Synonyms(3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME
Systematic Name (OpenEye OEToolkits)(3Z)-6-bromo-3-[(3E)-3-hydroxyimino-1H-indol-2-ylidene]-1H-indol-2-one
FormulaC16 H10 Br N3 O2
Molecular Weight356.174
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Brc1ccc\2c(c1)NC(=O)C/2=C4\C(=N\O)\c3ccccc3N4
SMILESCACTVS3.341ON=C1C(Nc2ccccc12)=C3C(=O)Nc4cc(Br)ccc34
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2
Canonical SMILESCACTVS3.341 O/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4cc(Br)ccc34
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2
InChIInChI1.03 InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
InChIKeyInChI1.03 DDLZLOKCJHBUHD-WAVHTBQISA-N

Drug Info: DrugBank

DrugBank IDDB03444 
Name6-bromoindirubin-3'-oxime
Groups experimental
Synonyms
  • (2Z,3E)-6'-bromo-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime
  • 6-bromoindirubin-3'-oxime
  • 6-BIO
  • (2Z,3E)-6-Bromoindirubin-3'-oxime
Categories
  • Amines
  • Glycogen Synthase Kinase 3, antagonists & inhibitors
  • Heterocyclic Compounds, Fused-Ring
  • Hydroxylamines
CAS number667463-62-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Glycogen synthase kinase-3 betaMSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDR...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