TDR Targets

Basic information

Technical information

TDR Targets ID: 152164
Name: 1-(4-chlorophenyl)-2-methyl-2H-1,3,5-triazine -4,6-diamine
MW: 237.689 | Formula: C10H12ClN5
H donors: 2 H acceptors: 0 LogP: 0.8 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)N1C(C)N=C(N=C1N)N
InChi: 1S/C10H12ClN5/c1-6-14-9(12)15-10(13)16(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H4,12,13,14,15)
InChiKey: WHWDLTBBQLJYCJ-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

[6-amino-1-(4-chlorophenyl)-2-methyl-2H-s-triazin-4-yl]amine
1-(4-chlorophenyl)-6-methyl-6H-1,3,5-triazine-2,4-diamine
[4-amino-1-(4-chlorophenyl)-6-methyl-6H-s-triazin-2-yl]amine
30805-24-4
4,6-DIAMINO-1-(P-CHLOROPHENYL)-1,2-DIHYDRO-2-M*

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K00560 thymidylate synthase [EC2.1.1.45], putative	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium yoelii	thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania major	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Onchocerca volvulus		Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus granulosus	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Brugia malayi	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Loa Loa (eye worm)	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus multilocularis	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium ulcerans	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.01	0.0199
Echinococcus multilocularis	ecdysone induced protein 78C	0.007	0.1301	0.1301
Brugia malayi	hypothetical protein	0.0062	0.11	0.2193
Echinococcus granulosus	chromobox protein 1	0.0068	0.1246	0.1246
Echinococcus multilocularis	dihydrofolate reductase	0.0053	0.0898	0.0898
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.01	0.0258
Loa Loa (eye worm)	hypothetical protein	0.007	0.1301	0.2592
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.01	0.0258
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.007	0.1301	0.377
Echinococcus granulosus	nuclear receptor nhr 48	0.0033	0.0445	0.0445
Echinococcus multilocularis	nuclear receptor nhr 48	0.0033	0.0445	0.0445
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.01	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0033	0.0445	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0537	0.107
Schistosoma mansoni	hypothetical protein	0.0066	0.1205	0.3492
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0559	0.4002
Brugia malayi	MH1 domain containing protein	0.0016	0.0045	0.009
Brugia malayi	chromobox protein homolog 3	0.0038	0.0559	0.1114
Schistosoma mansoni	hypothetical protein	0.0031	0.0387	0.1121
Loa Loa (eye worm)	hypothetical protein	0.007	0.1301	0.2592
Onchocerca volvulus	Protein ultraspiracle homolog	0.007	0.1301	0.4059
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.007	0.1301	0.1301
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.01	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.007	0.1301	0.1301
Loa Loa (eye worm)	hypothetical protein	0.007	0.1301	0.2592
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Schistosoma mansoni	hypothetical protein	0.0164	0.345	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.007	0.1301	0.2592
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.1246	1
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0045	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Echinococcus granulosus	ecdysone induced protein 78C	0.007	0.1301	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0033	0.0445	0.0445
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0183	0.3879	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.007	0.1301	0.1301
Echinococcus granulosus	geminin	0.0164	0.345	0.345
Brugia malayi	MH2 domain containing protein	0.0232	0.5017	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0033	0.0445	0.0888
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0387	0.0771
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.007	0.1301	0.2592
Chlamydia trachomatis	dihydrofolate reductase	0.0053	0.0898	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0037	0.0537	0.1557
Echinococcus multilocularis	smad	0.0016	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Schistosoma mansoni	smad	0.0016	0.0045	0.0132
Echinococcus granulosus	thyroid hormone receptor alpha	0.0033	0.0445	0.0445
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0033	0.0445	0.1291
Brugia malayi	ecdysteroid receptor	0.007	0.1301	0.2592
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Loa Loa (eye worm)	thymidylate synthase	0.013	0.2663	0.5308
Schistosoma mansoni	chromobox protein	0.0068	0.1246	0.3613
Schistosoma mansoni	ap endonuclease	0.0018	0.01	0.029
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0537	0.107
Echinococcus multilocularis	Smad4	0.0016	0.0045	0.0045
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.007	0.1301	0.1301
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.007	0.1301	0.1301
Schistosoma mansoni	hypothetical protein	0.0031	0.0387	0.1121
Loa Loa (eye worm)	dihydrofolate reductase	0.0053	0.0898	0.1789
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.007	0.1301	0.2592
Schistosoma mansoni	nuclear hormone receptor	0.007	0.1301	0.377
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0033	0.0445	0.0888
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.007	0.1301	0.2592
Brugia malayi	Dihydrofolate reductase	0.0053	0.0898	0.1789
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.1246	0.2484
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0537	0.107
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0387	0.0771
Brugia malayi	Steroid receptor seven-up type 2	0.007	0.1301	0.2592
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.1205	0.2401
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0045	0.0045
Brugia malayi	steroid hormone receptor	0.007	0.1301	0.2592
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0229	0.4935	0.9837
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.007	0.1301	0.2592
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0033	0.0445	0.0332
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0033	0.0445	0.0445
Brugia malayi	nuclear receptor NHR-88	0.0033	0.0445	0.0888
Brugia malayi	nuclear hormone receptor family member odr-7	0.0033	0.0445	0.0888
Schistosoma mansoni	zinc finger protein	0.0033	0.0445	0.1291
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0037	0.0537	0.0537
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.007	0.1301	0.1301
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.007	0.1301	0.2592
Loa Loa (eye worm)	hypothetical protein	0.007	0.1301	0.2592
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.007	0.1301	0.2592
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0303	0.1768
Brugia malayi	Smad1	0.0016	0.0045	0.009
Toxoplasma gondii	exonuclease III APE	0.0018	0.01	0.0258
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.007	0.1301	0.377
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0183	0.3879	1
Brugia malayi	dihydrofolate reductase family protein	0.0053	0.0898	0.1789
Echinococcus multilocularis	thymidylate synthase	0.013	0.2663	0.2663
Schistosoma mansoni	chromobox protein	0.0068	0.1246	0.3613
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0559	0.0826
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0183	0.3879	1
Brugia malayi	conserved hypotetical protein	0.0033	0.0445	0.0888
Schistosoma mansoni	thyroid hormone receptor	0.007	0.1301	0.377
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.007	0.1301	0.2592
Schistosoma mansoni	ap endonuclease	0.0018	0.01	0.029
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.013	0.2663	0.772
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.01	0.0258
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0045	0.0132
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.0445	0.0445
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0387	0.0387
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.007	0.1301	0.1301
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.007	0.1301	0.1301
Brugia malayi	Nuclear hormone receptor-like 1	0.0037	0.0537	0.107
Brugia malayi	tailless protein	0.0033	0.0445	0.0888
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0033	0.0445	0.1291
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.01	0.0199
Echinococcus multilocularis	geminin	0.0164	0.345	0.345
Onchocerca volvulus	Bile acid receptor homolog	0.007	0.1301	0.4059
Loa Loa (eye worm)	hypothetical protein	0.007	0.1301	0.2592
Echinococcus multilocularis	neuropeptide receptor A26	0.0449	1	1
Echinococcus granulosus	GPCR family 2	0.0031	0.0387	0.0387
Onchocerca volvulus		0.007	0.1301	0.4059
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0033	0.0445	0.0445
Schistosoma mansoni	nuclear receptor	0.0033	0.0445	0.1291
Echinococcus granulosus	chromobox protein 1	0.0068	0.1246	0.1246
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0559	0.4002
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0537	0.107
Brugia malayi	MH2 domain containing protein	0.0016	0.0045	0.009
Echinococcus granulosus	Smad4	0.0016	0.0045	0.0045
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0033	0.0445	0.0888
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.11	0.8726
Echinococcus granulosus	neuropeptide receptor A26	0.0449	1	1
Brugia malayi	MH2 domain containing protein	0.0016	0.0045	0.009
Brugia malayi	thymidylate synthase	0.013	0.2663	0.5308
Brugia malayi	MH1 domain containing protein	0.0016	0.0045	0.009
Echinococcus multilocularis	chromobox protein 1	0.0068	0.1246	0.1246
Mycobacterium tuberculosis	Hypothetical protein	0.0062	0.11	0.3902
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0625	0.4583
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.191	0.3806
Onchocerca volvulus		0.013	0.2663	1
Brugia malayi	nuclear receptor NHR-67	0.0033	0.0445	0.0888
Schistosoma mansoni	hypothetical protein	0.0031	0.0387	0.1121
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.01	0.0258
Echinococcus multilocularis	chromobox protein 1	0.0068	0.1246	0.1246
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0559	0.1114
Loa Loa (eye worm)	hypothetical protein	0.007	0.1301	0.2592
Loa Loa (eye worm)	hypothetical protein	0.007	0.1301	0.2592
Loa Loa (eye worm)	hypothetical protein	0.003	0.0369	0.0736
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0445	0.0445
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0033	0.0445	0.0445
Echinococcus granulosus	thymidylate synthase	0.013	0.2663	0.2663
Echinococcus granulosus	smad	0.0016	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1205	0.2401
Brugia malayi	hypothetical protein	0.0033	0.0445	0.0888
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.007	0.1301	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Loa Loa (eye worm)	nuclear hormone receptor	0.0033	0.0445	0.0888
Schistosoma mansoni	nuclear hormone receptor	0.0033	0.0445	0.1291
Brugia malayi	Nuclear hormone receptor E75	0.0033	0.0445	0.0888
Brugia malayi	nuclear receptor NHR-88	0.007	0.1301	0.2592
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0033	0.0445	0.0332
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0033	0.0445	0.0888
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.007	0.1301	0.1301
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0625	0.1116
Echinococcus multilocularis	neuropeptide s receptor	0.0449	1	1
Loa Loa (eye worm)	DR-78	0.0033	0.0445	0.0888
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.007	0.1301	0.377
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0053	0.0898	0.3111
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.007	0.1301	0.377
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.01	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0387	0.0387
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.1246	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.007	0.1301	0.2592
Schistosoma mansoni	dihydrofolate reductase	0.0053	0.0898	0.2602
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.007	0.1301	0.2592
Loa Loa (eye worm)	hypothetical protein	0.007	0.1301	0.2592
Echinococcus multilocularis	FTZ F1 alpha	0.007	0.1301	0.1301
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.191	0.3806
Echinococcus granulosus	dihydrofolate reductase	0.0053	0.0898	0.0898
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0625	0.4583
Brugia malayi	Heterochromatin protein 1	0.0068	0.1246	0.2484
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.007	0.1301	0.4059
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.007	0.1301	0.2592
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Brugia malayi	hypothetical protein	0.0037	0.0537	0.107
Mycobacterium ulcerans	thymidylate synthase	0.013	0.2663	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.01	0.5
Onchocerca volvulus		0.0033	0.0445	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.007	0.1301	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0183	0.3879	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.191	0.3806
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0183	0.3879	1
Schistosoma mansoni	nuclear hormone receptor	0.0033	0.0445	0.1291
Brugia malayi	hypothetical protein	0.0033	0.0445	0.0888
Brugia malayi	nuclear receptor RXR	0.0037	0.0537	0.107
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.007	0.1301	0.2592
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0303	0.1768
Loa Loa (eye worm)	transcription factor SMAD2	0.0232	0.5017	1
Brugia malayi	nuclear receptor RXR	0.0033	0.0445	0.0888
Schistosoma mansoni	thyroid hormone receptor	0.007	0.1301	0.377
Schistosoma mansoni	coup transcription factor	0.007	0.1301	0.377
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0037	0.0537	0.107
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0045	0.0132
Brugia malayi	photoreceptor-specific nuclear receptor	0.007	0.1301	0.2592
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0387	0.0771
Schistosoma mansoni	retinoic acid receptor RXR	0.007	0.1301	0.377
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0037	0.0537	0.1557
Brugia malayi	Nuclear hormone receptor-like 1	0.007	0.1301	0.2592
Echinococcus multilocularis	thyroid hormone receptor alpha	0.007	0.1301	0.1301
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0045	0.0132
Brugia malayi	ecdysone receptor	0.0033	0.0445	0.0888
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0033	0.0445	0.0445
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0037	0.0537	0.0537
Loa Loa (eye worm)	steroid hormone receptor	0.007	0.1301	0.2592
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0045	0.0045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.007	0.1301	0.2592
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0033	0.0445	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0097	0.191	0.3806
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0053	0.0898	0.3111
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.007	0.1301	0.377
Loa Loa (eye worm)	MH1 domain-containing protein	0.0016	0.0045	0.009
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.007	0.1301	0.2592
Schistosoma mansoni	Smad4	0.0016	0.0045	0.0132
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.007	0.1301	0.2592
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.007	0.1301	0.2592
Schistosoma mansoni	steroid hormone receptor ad4bp	0.007	0.1301	0.377
Loa Loa (eye worm)	MH2 domain-containing protein	0.0232	0.5017	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0387	0.1121
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.007	0.1301	0.2592
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.01	0.01
Brugia malayi	nuclear hormone receptor	0.007	0.1301	0.2592
Loa Loa (eye worm)	Smad1	0.0016	0.0045	0.009
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0033	0.0445	0.0445
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.007	0.1301	0.2592
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0387	0.0387
Schistosoma mansoni	nuclear receptor	0.0033	0.0445	0.1291
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0183	0.3879	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.007	0.1301	0.2592
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.013	0.2663	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.007	0.1301	0.1301
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0387	0.0387
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.007	0.1301	0.377
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0062	0.11	0.2836
Loa Loa (eye worm)	MH2 domain-containing protein	0.0016	0.0045	0.009
Brugia malayi	nuclear hormone receptor	0.0033	0.0445	0.0888
Brugia malayi	Nuclear hormone receptor-like 1	0.0037	0.0537	0.107
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.01	0.01
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.007	0.1301	0.2592
Schistosoma mansoni	nuclear receptor nhr-48	0.0033	0.0445	0.1291
Schistosoma mansoni	hypothetical protein	0.0164	0.345	1
Brugia malayi	hypothetical protein	0.0037	0.0537	0.107
Onchocerca volvulus		0.0033	0.0445	0.0332
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0387	0.0771
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.007	0.1301	0.1301
Echinococcus granulosus	FTZ F1 alpha	0.007	0.1301	0.1301
Brugia malayi	follicle stimulating hormone receptor	0.0229	0.4935	0.9837
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.013	0.2663	1
Brugia malayi	Nuclear hormone receptor E75	0.0033	0.0445	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0537	0.107
Schistosoma mansoni	RAR-like nuclear receptor	0.007	0.1301	0.377
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0445	0.0888

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 347 nM	evaluated for their growth inhibition (IC50) against P. falciparum clones with mutant strain (T9/94)	ChEMBL.	10893311
IC50 (functional)	= 347 nM	evaluated for their growth inhibition (IC50) against P. falciparum clones with mutant strain (T9/94)	ChEMBL.	10893311
IC50 (functional)	= 348 nM	evaluated for their growth inhibition (IC50) against P. falciparum clones with wild-type (TM4/8.2)	ChEMBL.	10893311
IC50 (functional)	= 348 nM	evaluated for their growth inhibition (IC50) against P. falciparum clones with wild-type (TM4/8.2)	ChEMBL.	10893311
IC50 ratio (functional)	= 1	Selectivity ratio of growth inhibition values of wild-type (TM4/8.2) and mutant (T9/94) clones of P. falciparum	ChEMBL.	10893311
IC50 ratio (functional)	= 1	Selectivity ratio of growth inhibition values of wild-type (TM4/8.2) and mutant (T9/94) clones of P. falciparum	ChEMBL.	10893311
Ki (binding)	= 4.1 nM	Evaluated for inhibition constant (Ki wt) against Wild-type dihydrofolate reductase of Plasmodium falciparum	ChEMBL.	10893311
Ki (binding)	= 4.1 nM	Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.	ChEMBL.	14736247
Ki (binding)	= 4.1 nM	Evaluated for inhibition constant (Ki wt) against Wild-type dihydrofolate reductase of Plasmodium falciparum	ChEMBL.	10893311
Ki (binding)	= 4.1 nM	Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.	ChEMBL.	14736247
Ki (binding)	= 127 nM	Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparum	ChEMBL.	10893311
Ki (binding)	= 127 nM	Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum.	ChEMBL.	14736247
Ki (binding)	= 127 nM	Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparum	ChEMBL.	10893311
Ki (binding)	= 127 nM	Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum.	ChEMBL.	14736247
Ki (binding)	= 134 nM	Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum	ChEMBL.	14736247
Ki (binding)	= 134 nM	Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum	ChEMBL.	14736247
Ki (binding)	= 1582 nM	Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum	ChEMBL.	14736247
Ki (binding)	= 1582 nM	Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum	ChEMBL.	14736247
Ki (binding)	= 2427 nM	Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum	ChEMBL.	14736247
Ki (binding)	= 2427 nM	Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum	ChEMBL.	14736247
Ratio (binding)	= 31	Ratio of binding affinity of compound for mutant (A16V+S108T) to that of wild type dihydrofolate reductase	ChEMBL.	14736247
Ratio (binding)	= 31	Ratio of inhibitory constant of mutant by wildtype DHFRs of P. falciparum	ChEMBL.	10893311
Ratio (binding)	= 32.7	Ratio of binding affinity of compound for mutant (N51I+C59R+S108N) to that of wild type dihydrofolate reductase	ChEMBL.	14736247
Ratio (binding)	= 386	Ratio of binding affinity of compound for mutant (C59R+S108N+I164L) to that of wild type dihydrofolate reductase	ChEMBL.	14736247
Ratio (binding)	= 592	Ratio of binding affinity of compound for mutant (N51I+C59R+S108N+I164L) to that of wild type dihydrofolate reductase	ChEMBL.	14736247
Ratio (binding)	= 31	Ratio of inhibitory constant of mutant by wildtype DHFRs of P. falciparum	ChEMBL.	10893311
Ratio (binding)	= 31	Ratio of binding affinity of compound for mutant (A16V+S108T) to that of wild type dihydrofolate reductase	ChEMBL.	14736247
Ratio (binding)	= 32.7	Ratio of binding affinity of compound for mutant (N51I+C59R+S108N) to that of wild type dihydrofolate reductase	ChEMBL.	14736247
Ratio (binding)	= 386	Ratio of binding affinity of compound for mutant (C59R+S108N+I164L) to that of wild type dihydrofolate reductase	ChEMBL.	14736247
Ratio (binding)	= 592	Ratio of binding affinity of compound for mutant (N51I+C59R+S108N+I164L) to that of wild type dihydrofolate reductase	ChEMBL.	14736247
Relative activity (binding)	= 0.09	Evaluated for activity of compound relative to Cycloguanil	ChEMBL.	10893311
Relative activity (binding)	= 2.7	Evaluated for activity of relative to Cycloguanil	ChEMBL.	10893311
Relative activity (binding)	= 0.09	Evaluated for activity of compound relative to Cycloguanil	ChEMBL.	10893311
Relative activity (binding)	= 2.7	Evaluated for activity of relative to Cycloguanil	ChEMBL.	10893311

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	10893311

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: CHEMBL93484
PubChem: 35510

Bibliographic References

2 literature references were 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 152164