Literature summary for 1.5.1.3 extracted from

Bag, S.; Tawari, N.; Degani, M.
Insight into inhibitory activity of mycobacterial dihydrofolate reductase inhibitors by in-silico molecular modeling approaches (2009), QSAR Comb. Sci., 28, 296-311.

No PubMed abstract available

Inhibitors

Inhibitors	Comment	Organism
5-(3-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine	-	Mycobacterium avium
5-ethyl-6-([[2-methoxy-5-(trifluoromethyl)phenyl]amino]methyl)pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
5-ethyl-6-[[(2-methoxy-5-methylphenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
5-methoxy-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
5-methyl-6-[(naphthalen-2-ylsulfanyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
5-methyl-6-[[(3,4,5-trimethoxyphenyl)sulfanyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
5-methyl-6-[[(3-methylphenyl)sulfanyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-((5-methoxy-2-methylphenylamino)methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-([[2-(difluoromethoxy)-5-methylphenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-([[2-bromo-5-(trifluoromethyl)phenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-([[2-fluoro-5-(trifluoromethyl)phenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-([[2-methoxy-5-(trifluoromethyl)phenyl](methyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-([[2-methoxy-5-(trifluoromethyl)phenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-([[3-methoxy-5-(trifluoromethyl)phenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-([[4-(difluoromethoxy)phenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[2-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-dibromophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-dibutoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-dichlorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-diethoxyphenyl)(methyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-diethoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-difluorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-(methoxymethyl)pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-ethylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-dimethoxyphenyl)sulfanyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2,5-dimethylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2-chloro-4,6-dimethylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2-chloro-4-fluoro-5-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2-chloro-5-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2-chlorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2-fluoro-5-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(2-methoxy-5-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3,4,5-trimethoxyphenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3,4-dichlorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3,4-dimethoxyphenyl)amino]methyl]-5-(methoxymethyl)pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3,4-dimethoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3,4-dimethoxyphenyl)sulfanyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3,5-dimethoxyphenyl)(methyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3,5-dimethoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3-bromo-4-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3-chloro-2-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3-chlorophenyl)sulfanyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3-ethoxy-5-methoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3-fluoro-4-methoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3-methoxy-5-propoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3-methoxybiphenyl-4-yl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(3-methoxyphenyl)sulfanyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(4-bromo-2,6-dimethylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(4-bromo-2-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(4-chloro-2-methoxy-5-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(4-chloro-2-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(4-chlorophenyl)amino]methyl]-5-methoxypyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(4-chlorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(4-chlorophenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(4-chlorophenyl)sulfanyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(5-chloro-2-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
6-[[(5-fluoro-2-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine	-	Mycobacterium avium
additional information	inhibitor development, molecular docking, modelling, pharmacophore mapping, and three-dimensional quantitative structure-activity relationship studies, 3D-QSAR, studies using the crystal structure, PDB ID 1DF7, determination of structure-functional requirements for the binding of the DHFR inhibitors, overview	Mycobacterium avium

Organism

Organism	UniProt	Comment	Textmining
Mycobacterium avium	O30463	-	-

Synonyms

Synonyms	Comment	Organism
DHFR	-	Mycobacterium avium

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.00000019	-	-	Mycobacterium avium	6-[[(4-chloro-2-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000004	-	-	Mycobacterium avium	6-((5-methoxy-2-methylphenylamino)methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000006	-	-	Mycobacterium avium	6-[[(3-bromo-4-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000064	-	-	Mycobacterium avium	6-[[(3,5-dimethoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000066	-	-	Mycobacterium avium	6-([[2-methoxy-5-(trifluoromethyl)phenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000007	-	-	Mycobacterium avium	6-[[(3,4-dimethoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000007	-	-	Mycobacterium avium	6-[[(2,5-dibromophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000073	-	-	Mycobacterium avium	6-[[(3,5-dimethoxyphenyl)(methyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000078	-	-	Mycobacterium avium	6-[[(2-chloro-4-fluoro-5-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000082	-	-	Mycobacterium avium	6-[[(4-chlorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000082	-	-	Mycobacterium avium	6-[[(3-chloro-2-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000082	-	-	Mycobacterium avium	5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
0.00000082	-	-	Mycobacterium avium	6-([[2-bromo-5-(trifluoromethyl)phenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000084	-	-	Mycobacterium avium	6-[[(2,5-diethoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000084	-	-	Mycobacterium avium	6-[[(4-chlorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000085	-	-	Mycobacterium avium	6-[[(5-fluoro-2-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000085	-	-	Mycobacterium avium	6-[[(4-bromo-2-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000086	-	-	Mycobacterium avium	6-[[(2-methoxy-5-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000086	-	-	Mycobacterium avium	6-([[2-fluoro-5-(trifluoromethyl)phenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000087	-	-	Mycobacterium avium	5-(3-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
0.00000087	-	-	Mycobacterium avium	6-([[2-(difluoromethoxy)-5-methylphenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000088	-	-	Mycobacterium avium	5-ethyl-6-([[2-methoxy-5-(trifluoromethyl)phenyl]amino]methyl)pyrido[2,3-d]pyrimidine-2,4-diamine
0.00000089	-	-	Mycobacterium avium	6-[[(2,5-dichlorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000009	-	-	Mycobacterium avium	6-[[(2,5-difluorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000009	-	-	Mycobacterium avium	6-[[(5-chloro-2-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000091	-	-	Mycobacterium avium	6-[[(2-chlorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000091	-	-	Mycobacterium avium	6-[[(3-methoxybiphenyl-4-yl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000091	-	-	Mycobacterium avium	6-[[(3-fluoro-4-methoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000092	-	-	Mycobacterium avium	6-[[(2,5-dimethylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000092	-	-	Mycobacterium avium	6-[[(3,4-dichlorophenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000093	-	-	Mycobacterium avium	6-([[3-methoxy-5-(trifluoromethyl)phenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000093	-	-	Mycobacterium avium	6-[[(3-methoxy-5-propoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000094	-	-	Mycobacterium avium	6-[[(4-chloro-2-methoxy-5-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.00000095	-	-	Mycobacterium avium	6-[[(2-chloro-5-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.000001	-	-	Mycobacterium avium	6-[[(2,5-dibutoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000011	-	-	Mycobacterium avium	6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000011	-	-	Mycobacterium avium	6-[[(2-fluoro-5-methylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000011	-	-	Mycobacterium avium	6-([[4-(difluoromethoxy)phenyl]amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000011	-	-	Mycobacterium avium	6-[[(3-ethoxy-5-methoxyphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000012	-	-	Mycobacterium avium	6-([[2-methoxy-5-(trifluoromethyl)phenyl](methyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000014	-	-	Mycobacterium avium	6-[[(2,5-diethoxyphenyl)(methyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000015	-	-	Mycobacterium avium	6-[[(3,4-dimethoxyphenyl)sulfanyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000015	-	-	Mycobacterium avium	6-[2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000027	-	-	Mycobacterium avium	6-[[(3-methoxyphenyl)sulfanyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000028	-	-	Mycobacterium avium	6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-ethylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000031	-	-	Mycobacterium avium	5-ethyl-6-[[(2-methoxy-5-methylphenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
0.0000036	-	-	Mycobacterium avium	6-[[(4-chlorophenyl)sulfanyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000038	-	-	Mycobacterium avium	6-[[(2-chloro-4,6-dimethylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000039	-	-	Mycobacterium avium	6-[[(3-chlorophenyl)sulfanyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.0000045	-	-	Mycobacterium avium	5-methyl-6-[[(3,4,5-trimethoxyphenyl)sulfanyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
0.0000046	-	-	Mycobacterium avium	5-methyl-6-[(naphthalen-2-ylsulfanyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
0.0000053	-	-	Mycobacterium avium	6-[[(4-bromo-2,6-dimethylphenyl)amino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.000016	-	-	Mycobacterium avium	5-methyl-6-[[(3-methylphenyl)sulfanyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
0.000023	-	-	Mycobacterium avium	6-[[(2,5-dimethoxyphenyl)sulfanyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.000047	-	-	Mycobacterium avium	6-[2-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
0.000073	-	-	Mycobacterium avium	6-[[(4-chlorophenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
0.00024	-	-	Mycobacterium avium	6-[[(3,4,5-trimethoxyphenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
0.00055	-	-	Mycobacterium avium	5-methoxy-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
0.0012	-	-	Mycobacterium avium	6-[[(3,4-dimethoxyphenyl)amino]methyl]-5-(methoxymethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
0.0015	-	-	Mycobacterium avium	6-[[(4-chlorophenyl)amino]methyl]-5-methoxypyrido[2,3-d]pyrimidine-2,4-diamine
0.0024	-	-	Mycobacterium avium	6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-(methoxymethyl)pyrido[2,3-d]pyrimidine-2,4-diamine