ZY6

1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine

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

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count45
Aromatic Bond Count17
2D diagram of ZY6

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
Systematic Name (OpenEye OEToolkits)[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
FormulaC17 H19 N5 O
Molecular Weight309.366
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2cc1c(c(cnc1n2)c3ccccc3)N4CC(OCC4)CN
SMILESCACTVS3.352NC[CH]1CN(CCO1)c2c3cn[nH]c3ncc2c4ccccc4
SMILESOpenEye OEToolkits1.6.1c1ccc(cc1)c2cnc3c(c2N4CCOC(C4)CN)cn[nH]3
Canonical SMILESCACTVS3.352 NC[C@H]1CN(CCO1)c2c3cn[nH]c3ncc2c4ccccc4
Canonical SMILESOpenEye OEToolkits1.6.1 c1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[nH]3
InChIInChI1.03 InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m0/s1
InChIKeyInChI1.03 YBRZCAKSBYWZTC-ZDUSSCGKSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08774 
Name1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
Groups experimental
Synonyms1-[(2S)-4-(5-phenyl-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 44129608
ChEMBL CHEMBL562314