TDR Targets

Basic information

Technical information

TDR Targets ID: 88085
Name: 5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)met hyl]pyrimidine-2,4-diamine
MW: 269.345 | Formula: C15H19N5
H donors: 2 H acceptors: 2 LogP: 1.94 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncc(c(n1)N)Cc1ccc2c(c1)CCCN2C
InChi: 1S/C15H19N5/c1-20-6-2-3-11-7-10(4-5-13(11)20)8-12-9-18-15(17)19-14(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H4,16,17,18,19)
InChiKey: VZDZIQCTRIYVLF-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

[2-amino-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidin-4-yl]amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	Dihydrofolate reductase type 1	Starlite/ChEMBL	References
Neisseria gonorrhoeae	Dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	dihydrofolate reductase family protein	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Loa Loa (eye worm)	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Chlamydia trachomatis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus multilocularis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	hypothetical protein	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus granulosus	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Chlamydia trachomatis	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Brugia malayi	dihydrofolate reductase family protein	Dihydrofolate reductase type 1	157 aa	144 aa	26.4 %
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Dihydrofolate reductase type 1	157 aa	142 aa	29.6 %
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	162 aa	185 aa	28.6 %
Candida albicans	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Dihydrofolate reductase type 1	157 aa	159 aa	23.9 %
Candida albicans	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	142 aa	33.8 %
Candida albicans	hypothetical protein	Dihydrofolate reductase type 1	157 aa	131 aa	28.2 %
Schistosoma mansoni	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	149 aa	28.9 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	154 aa	37.7 %
Echinococcus granulosus	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	171 aa	25.1 %
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Dihydrofolate reductase	162 aa	145 aa	32.4 %
Onchocerca volvulus	Putative dihydrofolate reductase	Dihydrofolate reductase	162 aa	176 aa	31.8 %
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	142 aa	31.0 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase type 1	157 aa	128 aa	25.0 %
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	204 aa	32.8 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	162 aa	182 aa	31.3 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	204 aa	33.3 %
Dictyostelium discoideum	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	159 aa	30.2 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	181 aa	30.4 %
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	145 aa	31.0 %
Plasmodium berghei	AP2 domain transcription factor, putative	Dihydrofolate reductase type 1	157 aa	140 aa	23.6 %
Echinococcus multilocularis	dihydrofolate reductase	Dihydrofolate reductase type 1	157 aa	168 aa	25.6 %
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase	162 aa	177 aa	31.1 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	204 aa	32.8 %
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	142 aa	33.8 %
Onchocerca volvulus	Germline survival defective-1 homolog	Dihydrofolate reductase	162 aa	171 aa	26.9 %
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Dihydrofolate reductase type 1	157 aa	148 aa	26.4 %
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	162 aa	204 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0513	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0114	0.2211
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0005	0.0054	0.002
Brugia malayi	Nuclear hormone receptor-like 1	0.0005	0.0054	0.002
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0287	1	1
Brugia malayi	steroid hormone receptor	0.001	0.0219	0.0186
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0219	0.0186
Schistosoma mansoni	nuclear hormone receptor	0.0005	0.0034	0.001
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0219	0.0186
Loa Loa (eye worm)	hypothetical protein	0.001	0.0219	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0219	0.0186
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0219	0.0186
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0219	0.0196
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0219	0.0186
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0219	0.0186
Schistosoma mansoni	coup transcription factor	0.001	0.0219	0.0196
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0219	0.0196
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0219	0.2023
Loa Loa (eye worm)	dihydrofolate reductase	0.0287	1	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0159	0.5473	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0219	0.0186
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0114	0.2211
Brugia malayi	nuclear receptor RXR	0.0005	0.0054	0.002
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0219	0.0186
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0513	0.0481
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0219	0.0186
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0219	0.0186
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0219	0.0196
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0005	0.0054	0.003
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0219	0.0186
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0219	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0219	0.0186
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0114	0.2211
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0219	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0219	0.0186
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0005	0.0034	0.001
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0005	0.0054	0.002
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0137	0.0114
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0219	0.0196
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0219	0.0186
Schistosoma mansoni	zinc finger protein	0.0005	0.0034	0.001
Loa Loa (eye worm)	hypothetical protein	0.001	0.0219	0.0186
Schistosoma mansoni	nuclear receptor	0.0005	0.0034	0.001
Loa Loa (eye worm)	hypothetical protein	0.001	0.0219	0.0186
Brugia malayi	hypothetical protein	0.0005	0.0054	0.002
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.5473	1
Brugia malayi	ecdysteroid receptor	0.001	0.0219	0.0186
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.1917	0.283
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0219	0.0186
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0219	0.0196
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0219	0.0186
Echinococcus granulosus	dihydrofolate reductase	0.0287	1	1
Echinococcus multilocularis	cpg binding protein	0.0032	0.1011	0.0981
Brugia malayi	Dihydrofolate reductase	0.0287	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0219	0.0186
Schistosoma mansoni	nuclear receptor nhr-48	0.0005	0.0034	0.001
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0219	0.0186
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0219	0.0196
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0219	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0219	0.0186
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0114	0.2211
Onchocerca volvulus		0.0031	0.095	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.002
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0114	0.2211
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0159	0.5473	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0219	0.0186
Loa Loa (eye worm)	hypothetical protein	0.001	0.0219	0.0186
Onchocerca volvulus		0.001	0.0219	0.2023
Schistosoma mansoni	dihydrofolate reductase	0.0287	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0219	0.0196
Schistosoma mansoni	cpg binding protein	0.0031	0.095	0.0928
Schistosoma mansoni	ap endonuclease	0.0018	0.0513	0.0491
Loa Loa (eye worm)	hypothetical protein	0.001	0.0219	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.002
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0219	0.0186
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0137	0.0104
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0203	0.017
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0005	0.0054	0.003
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0137	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0114	0.2211
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0114	0.2211
Brugia malayi	hypothetical protein	0.0005	0.0054	0.002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0219	0.0186
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0219	0.0186
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0219	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0219	0.0186
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0219	0.0186
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0513	0.0481
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0219	0.0186
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0137	0.0104
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0513	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0114	0.2211
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0114	0.2211
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0219	0.0186
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0219	0.0196
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0199	0.0165
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0005	0.0034	0.001
Trichomonas vaginalis	helicase, putative	0.0007	0.0114	0.2211
Echinococcus multilocularis	dihydrofolate reductase	0.0287	1	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0137	0.0104
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0513	0.0481
Echinococcus granulosus	cpg binding protein	0.0032	0.1011	0.0981
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0219	0.0186
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0513	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.002
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0114	0.2211
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0219	0.0196
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0114	0.2211
Schistosoma mansoni	cpg binding protein	0.0032	0.1011	0.099
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0203	0.017
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0219	0.0186
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0219	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.002
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0513	1
Brugia malayi	CXXC zinc finger family protein	0.0031	0.095	0.0919
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0005	0.0054	0.002
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.095	0.0919
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.5473	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0513	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0219	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0219	0.0186
Schistosoma mansoni	nuclear hormone receptor	0.0005	0.0034	0.001
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0159	0.5473	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0219	0.0186
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0219	0.0186
Brugia malayi	Nuclear hormone receptor-like 1	0.0005	0.0054	0.002
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0219	0.0196
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0219	0.0186
Chlamydia trachomatis	dihydrofolate reductase	0.0287	1	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0219	0.0186
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.2162	0.2143
Loa Loa (eye worm)	hypothetical protein	0.001	0.0219	0.0186
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0219	0.0186
Brugia malayi	nuclear hormone receptor	0.001	0.0219	0.0186
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0114	0.2211
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0287	1	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0219	0.0186
Loa Loa (eye worm)	hypothetical protein	0.001	0.0219	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.002
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0203	0.017
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0159	0.5473	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0219	0.2023
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0114	0.2211
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0513	0.5
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0287	1	1
Schistosoma mansoni	ap endonuclease	0.0018	0.0513	0.0491
Schistosoma mansoni	cpg binding protein	0.0032	0.1011	0.099
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0219	0.0196
Brugia malayi	nuclear receptor NHR-88	0.001	0.0219	0.0186
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0219	0.2023
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0219	0.0186
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0219	0.0186
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0114	0.2211
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0114	0.2211
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0114	0.2211
Schistosoma mansoni	nuclear receptor	0.0005	0.0034	0.001
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0114	0.2211
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0513	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
I50 (binding)	= 1560000000 M	Inhibitory activity to dihydrofolate reductase in Escherichia coli	ChEMBL.	2502632
I50 (binding)	= 9500000000 M	Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeae	ChEMBL.	2502632
I50 (binding)	= 890000000000 M	Inhibitory activity against dihydrofolate reductase in rat liver	ChEMBL.	2502632
IC50 (binding)	= 0.000000156 M	Inhibitory activity to dihydrofolate reductase in Escherichia coli	ChEMBL.	2502632
IC50 (binding)	= 0.00000095 M	Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeae	ChEMBL.	2502632
IC50 (binding)	= 0.000089 M	Inhibitory activity against dihydrofolate reductase in rat liver	ChEMBL.	2502632
MIC (functional)	= 3 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Streptococcus faecalis CN478	ChEMBL.	2502632
MIC (functional)	= 10 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Streptococcus agalactiae CN1143	ChEMBL.	2502632
MIC (functional)	= 10 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Staphylococcus aureus CN491	ChEMBL.	2502632
MIC (functional)	= 10 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Vibrio cholerae ATCC 14035	ChEMBL.	2502632
MIC (functional)	= 10 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Mycobacterium smegmatis S 3254	ChEMBL.	2502632
MIC (functional)	= 10 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Shigella flexneri CN6007	ChEMBL.	2502632
MIC (functional)	= 10 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Proteus mirabilis S2409	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Bordetella bronchiseptica CN385	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Pasteurella multocida ATCC 6587	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Salmonella typhimurium S 8587	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Salmonella typhi CN512	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Escherichia coli CN314	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Serratia marcescens CN2398	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Klebsiella pneumoniae CN3632	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Enterobacter aerogenes 2200/86	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Citrobacter freundii 2200/77	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Proteus vulgaris CN329	ChEMBL.	2502632
MIC (functional)	= 30 ug ml-1	Comparative in vitro antibacterial activity with trimethoprim against Escherichia coli CN314	ChEMBL.	2502632

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL60582
PubChem: 23323039

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 88085