DTM

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

Created:	2002-09-29
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where DTM is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	17

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
Systematic Name (OpenEye OEToolkits)	N6-methyl-N6-[(3,4,5-trimethoxyphenyl)methyl]pyrido[5,6-e]pyrimidine-2,4,6-triamine
Formula	C₁₈ H₂₂ N₆ O₃
Molecular Weight	370.406
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)c(OC)c(OC)c3)C
SMILES	CACTVS	3.341	COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC
SMILES	OpenEye OEToolkits	1.5.0	CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N
Canonical SMILES	CACTVS	3.341	COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N
InChI	InChI	1.03	InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
InChIKey	InChI	1.03	PUOZHLHNKHRTOW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02919
Name	2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
Groups	experimental
Synonyms	2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine

Drug Targets

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