TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 329.195 | Formula: C15H13BrN4
H donors: 2 H acceptors: 2 LogP: 3.37 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncc(c(n1)N)Cc1ccc(c2c1cccc2)Br
InChi: 1S/C15H13BrN4/c16-13-6-5-9(11-3-1-2-4-12(11)13)7-10-8-19-15(18)20-14(10)17/h1-6,8H,7H2,(H4,17,18,19,20)
InChiKey: WTVAMFYCBDVOJG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Dihydrofolate reductase	Starlite/ChEMBL	References
Candida albicans	dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	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
Brugia malayi	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
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Get druggable targets OG5_128410	All targets in OG5_128410
Chlamydia trachomatis	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
Candida albicans	hypothetical protein	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
Echinococcus multilocularis	dihydrofolate reductase	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
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus granulosus	dihydrofolate reductase	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
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	210 aa	30.0 %
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	182 aa	33.5 %
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	193 aa	32.1 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	202 aa	29.2 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	187 aa	187 aa	35.8 %
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	209 aa	29.2 %
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Dihydrofolate reductase	187 aa	182 aa	34.1 %
Plasmodium yoelii	thymidylate synthase, putative	Dihydrofolate reductase	187 aa	212 aa	27.8 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase	187 aa	191 aa	31.9 %
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	210 aa	30.0 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	186 aa	37.1 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	33.7 %
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	211 aa	28.4 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	34.3 %
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	209 aa	29.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0306	0.0306
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0488	0.1407
Brugia malayi	beta-lactamase family protein	0.0042	0.0488	0.0488
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0488	0.0758
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0544	0.0845
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0544	0.0845
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0488	0.0488
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0544	0.0544
Plasmodium vivax	vivapain-2	0.0044	0.0544	0.1568
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0029	0.0173	0.0173
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0267	0.6228	0.6034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Echinococcus granulosus	cathepsin l1	0.0044	0.0544	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0488	0.032
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0415	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0159	0.3467	1
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0415	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0488	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0544	0.0377
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.0173	0.0269
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0044	0.0544	0.0377
Onchocerca volvulus		0.0044	0.0544	0.0592
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0159	0.3467	1
Brugia malayi	cathepsin L-like precursor	0.0029	0.0173	0.0173
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0544	0.0845
Onchocerca volvulus		0.0044	0.0544	0.0592
Onchocerca volvulus		0.0044	0.0544	0.0592
Brugia malayi	beta-lactamase	0.0042	0.0488	0.0488
Schistosoma mansoni	cathepsin F (C01 family)	0.0044	0.0544	0.0544
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0544	0.0544
Loa Loa (eye worm)	dihydrofolate reductase	0.0415	1	1
Brugia malayi	Pre-SET motif family protein	0.0242	0.558	0.558
Brugia malayi	Pre-SET motif family protein	0.0035	0.0306	0.0306
Trichomonas vaginalis	set domain proteins, putative	0.0275	0.643	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0544	0.0544
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0544	0.1568
Brugia malayi	Cathepsin L-like precursor	0.0029	0.0173	0.0173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Echinococcus granulosus	cathepsin l1	0.0029	0.0173	0.0173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0544	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0306	0.0306
Schistosoma mansoni	cathepsin F (C01 family)	0.0029	0.0173	0.0173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0044	0.0544	0.0845
Leishmania major	cathepsin L-like protease	0.0044	0.0544	0.0188
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0044	0.0544	0.1568
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.3467	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0029	0.0173	0.0499
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0544	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0488	0.0758
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0488	0.032
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0159	0.3467	1
Schistosoma mansoni	dihydrofolate reductase	0.0415	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0488	0.1407
Onchocerca volvulus		0.0042	0.0488	0.0503
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Trichomonas vaginalis	esterase, putative	0.0042	0.0488	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0488	0.032
Toxoplasma gondii	ABC1 family protein	0.0042	0.0488	0.0576
Echinococcus multilocularis	cathepsin L cysteine protease	0.0044	0.0544	0.0544
Toxoplasma gondii	cathepsin CPL	0.0044	0.0544	0.0753
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0544	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0488	0.032
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0544	0.0845
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0044	0.0544	0.1568
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0544	0.0544
Loa Loa (eye worm)	ctsf protein	0.0044	0.0544	0.0377
Onchocerca volvulus	Cathepsin F homolog	0.0044	0.0544	0.0592
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0544	0.0845
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0488	0.0488
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0488	0.1407
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0488	0.0488
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0488	0.032
Plasmodium vivax	vivapain-2	0.0044	0.0544	0.1568
Onchocerca volvulus		0.0044	0.0544	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0488	0.032
Onchocerca volvulus		0.0044	0.0544	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0306	0.0135
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0544	0.0845
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Entamoeba histolytica	cysteine proteinase, putative	0.0029	0.0173	0.3182
Echinococcus multilocularis	dihydrofolate reductase	0.0415	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0544	0.1568
Loa Loa (eye worm)	fibroinase	0.0044	0.0544	0.0377
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0544	0.0845
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0544	0.0845
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0273	0.0273
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0488	0.0488
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0242	0.558	0.5502
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0488	0.0488
Leishmania major	cysteine peptidase A (CPA)	0.0044	0.0544	0.0188
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.0173	0.0269
Onchocerca volvulus		0.0035	0.0306	0.0212
Onchocerca volvulus		0.0044	0.0544	0.0592
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0544	0.1568
Echinococcus multilocularis	cathepsin L cysteine protease	0.0044	0.0544	0.0544
Brugia malayi	Dihydrofolate reductase	0.0415	1	1
Echinococcus granulosus	dihydrofolate reductase	0.0415	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0544	0.0845
Onchocerca volvulus	Cathepsin L homolog	0.0044	0.0544	0.0592
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0544	0.1568
Leishmania major	cathepsin L-like protease	0.0044	0.0544	0.0188
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0159	0.3467	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0488	0.0758
Schistosoma mansoni	cathepsin F (C01 family)	0.0044	0.0544	0.0544
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.3467	1
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0488	0.032
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0044	0.0544	0.0377
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0306	0.0306
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0044	0.0544	0.0544
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0544	0.0544
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Brugia malayi	Cathepsin L-like precursor	0.0029	0.0173	0.0173
Leishmania major	cathepsin L-like protease	0.0044	0.0544	0.0188
Leishmania major	cathepsin L-like protease	0.0044	0.0544	0.0188
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0306	0.0306
Brugia malayi	beta-lactamase family protein	0.0042	0.0488	0.0488
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Onchocerca volvulus		0.0042	0.0488	0.0503
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0044	0.0544	0.0544
Onchocerca volvulus	Cathepsin L homolog	0.0044	0.0544	0.0592
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0544	0.0544
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0306	0.0306
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0544	0.1568
Brugia malayi	Papain family cysteine protease containing protein	0.0044	0.0544	0.0544
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0488	0.1407
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0488	0.0758
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0044	0.0544	0.0544
Trypanosoma cruzi	cruzipain precursor, putative	0.0044	0.0544	0.1568
Echinococcus multilocularis	cysteine protease	0.0044	0.0544	0.0544
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0415	1	1
Onchocerca volvulus		0.0275	0.643	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0544	0.0845
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0044	0.0544	0.0845
Leishmania major	cathepsin L-like protease	0.0044	0.0544	0.0188
Loa Loa (eye worm)	cysteine protease	0.0044	0.0544	0.0377
Echinococcus multilocularis	cysteine protease	0.0044	0.0544	0.0544
Leishmania major	cathepsin L-like protease	0.0044	0.0544	0.0188
Leishmania major	cathepsin L-like protease	0.0044	0.0544	0.0188
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0044	0.0544	0.1568
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0488	0.032
Onchocerca volvulus		0.0044	0.0544	0.0592
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0044	0.0544	0.0544
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0306	0.0306
Onchocerca volvulus		0.0042	0.0488	0.0503
Plasmodium vivax	SET domain protein, putative	0.0035	0.0306	0.0882
Chlamydia trachomatis	dihydrofolate reductase	0.0415	1	0.5
Leishmania major	cathepsin L-like protease	0.0044	0.0544	0.0188

Activities

Activity type	Activity value	Assay description	Source	Reference
I50 (binding)	= 0.04 uM l-1	Inhibitory activity of the compound against cell free dihydrofolate redutase (DHFR) from Escherichia coli	ChEMBL.	14695838
I50 (binding)	= 0.15 uM l-1	Inhibitory activity of the compound against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu	ChEMBL.	14695838
I50 (binding)	= 0.49 uM l-1	Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans	ChEMBL.	14695838
I50 (binding)	= 2.82 uM l-1	Inhibitory activity of the compound against cell free dihydrofolate reductase (DHFR) from rat	ChEMBL.	14695838
IC50 (binding)	= 0.04 uM l-1	Inhibitory activity of the compound against cell free dihydrofolate redutase (DHFR) from Escherichia coli	ChEMBL.	14695838
IC50 (binding)	= 0.15 uM l-1	Inhibitory activity of the compound against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu	ChEMBL.	14695838
IC50 (binding)	= 0.4900000000000001 uM l-1	Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans	ChEMBL.	14695838
IC50 (binding)	= 2.82 uM l-1	Inhibitory activity of the compound against cell free dihydrofolate reductase (DHFR) from rat	ChEMBL.	14695838

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: CHEMBL177408

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 311275