COQ

2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE

Created:	2002-07-25
Last modified:	2011-06-04

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1 entries where COQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	17

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Chemical Component Summary
Name	2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
Systematic Name (OpenEye OEToolkits)	N6-[(3,5-dimethoxyphenyl)methyl]-N6-methyl-pyrido[5,6-e]pyrimidine-2,4,6-triamine
Formula	C₁₇ H₂₀ N₆ O₂
Molecular Weight	340.38
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)cc(OC)c3)C
SMILES	CACTVS	3.341	COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1
SMILES	OpenEye OEToolkits	1.5.0	CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3nc2)N)N
Canonical SMILES	CACTVS	3.341	COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3nc2)N)N
InChI	InChI	1.03	InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
InChIKey	InChI	1.03	XWCCXDBXMCTZPW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03987
Name	2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
Groups	experimental
Synonyms	2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dihydrofolate reductase	MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNL...	unknown
Dihydrofolate reductase	MNQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFE...	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