DTQ

4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE

Created:	1999-12-07
Last modified:	2011-06-04

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5 entries where DTQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	17

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Chemical Component Summary
Name	4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE
Systematic Name (OpenEye OEToolkits)	3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
Formula	C₁₆ H₁₅ N₃ O₃
Molecular Weight	297.309
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(cc(OC)c(OC)c1)c(nc2)Nc3cccc(O)c3
SMILES	CACTVS	3.341	COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
SMILES	OpenEye OEToolkits	1.5.0	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O
Canonical SMILES	CACTVS	3.341	COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O
InChI	InChI	1.03	InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
InChIKey	InChI	1.03	BNDYIYYKEIXHNK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03365
Name	4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline
Groups	experimental
Synonyms	4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	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