ZYW

1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE

Created:2009-07-03
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count1
Bond Count34
Aromatic Bond Count10
2D diagram of ZYW

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Chemical Component Summary

Name1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE
Systematic Name (OpenEye OEToolkits)[(2S)-4-(5-bromo-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
FormulaC11 H14 Br N5 O
Molecular Weight312.166
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1cnc3c(c1N2CC(OCC2)CN)cnn3
SMILESCACTVS3.352NC[CH]1CN(CCO1)c2c(Br)cnc3[nH]ncc23
SMILESOpenEye OEToolkits1.6.1c1c2c(c(cnc2[nH]n1)Br)N3CCOC(C3)CN
Canonical SMILESCACTVS3.352 NC[C@H]1CN(CCO1)c2c(Br)cnc3[nH]ncc23
Canonical SMILESOpenEye OEToolkits1.6.1 c1c2c(c(cnc2[nH]n1)Br)N3CCO[C@H](C3)CN
InChIInChI1.03 InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)/t7-/m0/s1
InChIKeyInChI1.03 BJUBFXSKTBULRW-ZETCQYMHSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08781 
Name1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE
Groups experimental
Synonyms1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Serine/threonine-protein kinase Chk1MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPE...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

Related Resource References

Resource NameReference
PubChem 44141939