NU1

8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE

Created:1999-07-08
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count22
Aromatic Bond Count11
2D diagram of NU1
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Chemical Component Summary

Name8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE
SynonymsNU1025
Systematic Name (OpenEye OEToolkits)8-hydroxy-2-methyl-3H-quinazolin-4-one
FormulaC9 H8 N2 O2
Molecular Weight176.172
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c2c(N=C(N1)C)c(O)ccc2
SMILESCACTVS3.341CC1=Nc2c(O)cccc2C(=O)N1
SMILESOpenEye OEToolkits1.5.0CC1=Nc2c(cccc2O)C(=O)N1
Canonical SMILESCACTVS3.341 CC1=Nc2c(O)cccc2C(=O)N1
Canonical SMILESOpenEye OEToolkits1.5.0 CC1=Nc2c(cccc2O)C(=O)N1
InChIInChI1.03 InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)
InChIKeyInChI1.03 YJDAOHJWLUNFLX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02690 
NameNU1025
Groups experimental
SynonymsNU1025
CategoriesHeterocyclic Compounds, Fused-Ring
CAS number90417-38-2

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Poly [ADP-ribose] polymerase 1MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPH...unknowninhibitor
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
Pharos CHEMBL123904
PubChem 5289055, 63306, 135398517
ChEMBL CHEMBL123904
ChEBI CHEBI:75399
CCDC/CSD MOSCEF, UVEKEM