NU1

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

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

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2 entries where NU1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

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Chemical Component Summary
Name	8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE
Synonyms	NU1025
Systematic Name (OpenEye OEToolkits)	8-hydroxy-2-methyl-3H-quinazolin-4-one
Formula	C₉ H₈ N₂ O₂
Molecular Weight	176.172
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c2c(N=C(N1)C)c(O)ccc2
SMILES	CACTVS	3.341	CC1=Nc2c(O)cccc2C(=O)N1
SMILES	OpenEye OEToolkits	1.5.0	CC1=Nc2c(cccc2O)C(=O)N1
Canonical SMILES	CACTVS	3.341	CC1=Nc2c(O)cccc2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=Nc2c(cccc2O)C(=O)N1
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	YJDAOHJWLUNFLX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02690
Name	NU1025
Groups	experimental
Synonyms	NU1025
Categories	Heterocyclic Compounds, Fused-Ring
CAS number	90417-38-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Poly [ADP-ribose] polymerase 1	MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPH...	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