TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 379.499 | Formula: C22H29N5O
H donors: 2 H acceptors: 0 LogP: 3.5 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NC1=NC(N(C(=N1)N)c1cccc(c1)COc1cccc(c1)C(C)(C)C)(C)C
InChi: 1S/C22H29N5O/c1-21(2,3)16-9-7-11-18(13-16)28-14-15-8-6-10-17(12-15)27-20(24)25-19(23)26-22(27,4)5/h6-13H,14H2,1-5H3,(H4,23,24,25,26)
InChiKey: IHLMFJNDHCQZGA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Gallus gallus	Dihydrofolate reductase	Starlite/ChEMBL	References
Lactobacillus casei	Dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma mansoni	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 tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	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
Brugia malayi	dihydrofolate reductase family protein	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 leprae	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
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
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	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
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	34.3 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	34.3 %
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	209 aa	28.2 %
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	154 aa	33.8 %
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase	189 aa	189 aa	31.7 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	33.1 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	201 aa	29.4 %
Plasmodium yoelii	thymidylate synthase, putative	Dihydrofolate reductase	163 aa	139 aa	21.6 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	33.7 %
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	212 aa	29.2 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	185 aa	35.7 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	189 aa	180 aa	34.4 %
Echinococcus multilocularis	EF hand calcium binding domain containing protein	Dihydrofolate reductase	189 aa	155 aa	22.6 %
Onchocerca volvulus	Putative dihydrofolate reductase	Dihydrofolate reductase	163 aa	173 aa	27.2 %
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	194 aa	31.4 %
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	189 aa	209 aa	28.7 %
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	189 aa	172 aa	34.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.0182	0.0182
Trypanosoma brucei	prolyl oligopeptidase, putative	0.1227	0.3919	0.385
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0333	0.0964	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.0182	0.0182
Echinococcus granulosus	sodium channel protein	0.0196	0.0509	0.0509
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0106	0.0212	0.0212
Entamoeba histolytica	hypothetical protein, conserved	0.0333	0.0964	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0008	0.0008
Brugia malayi	dihydrofolate reductase family protein	0.0676	0.2096	0.2096
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0182	0.0182
Loa Loa (eye worm)	subtilase	0.0267	0.0743	0.0743
Trichomonas vaginalis	conserved hypothetical protein	0.0333	0.0964	1
Schistosoma mansoni	hypothetical protein	0.0165	0.0407	0.0407
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0018	0.0018
Schistosoma mansoni	glutamate receptor AMPA	0.0094	0.0171	0.0171
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0099	0.0189	0.5
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0676	0.2096	0.4976
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.3065	1	1
Schistosoma mansoni	ATP-binding cassette transporter	0.0094	0.0171	0.0171
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0379	0.1114	0.1114
Echinococcus multilocularis	thymidylate synthase	0.013	0.029	0.029
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0158	0.0384	0.0384
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0059	0.0056	0.0056
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0059	0.0056	0.0056
Trypanosoma cruzi	oligopeptidase b	0.1227	0.3919	0.388
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.013	0.029	0.029
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0379	0.1114	0.1056
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.049	0.148	0.148
Loa Loa (eye worm)	calpain family protein 1	0.0053	0.0036	0.0036
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.0044	0.0044
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0008	0.0008
Loa Loa (eye worm)	prolyl oligopeptidase	0.0333	0.0964	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0112	0.0112
Plasmodium vivax	hypothetical protein, conserved	0.0333	0.0964	0.7466
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.0631	0.1949	0.1949
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0333	0.0964	1
Echinococcus granulosus	glutamate receptor 2	0.0058	0.0054	0.0054
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0676	0.2096	0.23
Echinococcus multilocularis	Niemann Pick C1 protein	0.0139	0.032	0.032
Loa Loa (eye worm)	dihydrofolate reductase	0.0676	0.2096	0.2096
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0333	0.0964	0.0861
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0333	0.0964	1
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0421	0.1252	0.1153
Schistosoma mansoni	glutamate receptor NMDA	0.0199	0.0518	0.0518
Echinococcus granulosus	geminin	0.0165	0.0407	0.0407
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0021	0.0021
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.1227	0.3919	1
Echinococcus multilocularis	nmda type glutamate receptor	0.024	0.0654	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0333	0.0964	0.0964
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0333	0.0964	0.5
Echinococcus granulosus	expressed conserved protein	0.0091	0.0163	0.0163
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0377	0.1108	0.1108
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0377	0.1108	0.1108
Toxoplasma gondii	hypothetical protein	0.0333	0.0964	0.0861
Brugia malayi	hypothetical protein	0.0076	0.0112	0.0112
Brugia malayi	calpain family protein 1	0.0053	0.0036	0.0036
Echinococcus granulosus	glutamate receptor 2	0.0118	0.025	0.025
Echinococcus granulosus	acylamino acid releasing enzyme	0.0333	0.0964	0.0964
Echinococcus granulosus	prolyl endopeptidase	0.3065	1	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0029	0.0029
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0158	0.0384	0.0384
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.1227	0.3919	0.388
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0118	0.025	0.025
Brugia malayi	Glutamate receptor 1 precursor	0.0094	0.0171	0.0171
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0059	0.0056	0.0056
Echinococcus multilocularis	glutamate receptor NMDA	0.0081	0.0129	0.0129
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0421	0.1252	0.1196
Brugia malayi	hypothetical protein	0.0106	0.0212	0.0212
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0333	0.0964	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.0251	0.0251
Brugia malayi	Dihydrofolate reductase	0.0676	0.2096	0.2096
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0021	0.0021
Brugia malayi	prolyl oligopeptidase family protein	0.0333	0.0964	0.0964
Chlamydia trachomatis	dihydrofolate reductase	0.0676	0.2096	1
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0094	0.0171	0.0171
Trypanosoma cruzi	prolyl endopeptidase	0.3065	1	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0118	0.025	0.025
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0008	0.0008
Echinococcus multilocularis	calpain A	0.0056	0.0044	0.0044
Echinococcus multilocularis	dihydrofolate reductase	0.0676	0.2096	0.2096
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.023	0.0622	0.0622
Entamoeba histolytica	hypothetical protein	0.0106	0.0212	0.0378
Brugia malayi	hypothetical protein	0.0049	0.0023	0.0023
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.049	0.148	0.148
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0118	0.025	0.025
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0056	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0036	0.0036
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0676	0.2096	0.5111
Schistosoma mansoni	hypothetical protein	0.0106	0.0212	0.0212
Trypanosoma cruzi	PAB1-binding protein , putative	0.0076	0.0112	0.0048
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0106	0.0212	0.0212
Brugia malayi	calpain family protein 1	0.0053	0.0036	0.0036
Entamoeba histolytica	hypothetical protein	0.0106	0.0212	0.0378
Trypanosoma cruzi	hypothetical protein, conserved	0.0333	0.0964	0.0905
Loa Loa (eye worm)	thymidylate synthase	0.013	0.029	0.029
Brugia malayi	MH2 domain containing protein	0.0118	0.0251	0.0251
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0056	0.0044	0.0044
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0377	0.1108	0.1007
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0059	0.0056	0.0056
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0059	0.0056	0.0056
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.1227	0.3919	0.385
Schistosoma mansoni	dihydrofolate reductase	0.0676	0.2096	0.2096
Loa Loa (eye worm)	hypothetical protein	0.0333	0.0964	0.0964
Loa Loa (eye worm)	glutamate receptor 1	0.0094	0.0171	0.0171
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0377	0.1108	0.1007
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0333	0.0964	1
Schistosoma mansoni	glutamate receptor kainate	0.0094	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0267	0.0745	0.0745
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0099	0.0189	0.5
Brugia malayi	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0194	0.0501	0.0501
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0421	0.1252	0.1153
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0118	0.025	0.025
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0158	0.0384	0.0384
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.049	0.148	0.148
Loa Loa (eye worm)	glutamate receptor 2	0.0094	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.3065	1	1
Entamoeba histolytica	hypothetical protein	0.0106	0.0212	0.0378
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0379	0.1114	0.1013
Leishmania major	oligopeptidase b	0.1227	0.3919	0.385
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.3065	1	1
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0196	0.0509	0.0401
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0333	0.0964	0.0861
Trypanosoma cruzi	PAB1-binding protein , putative	0.0076	0.0112	0.0048
Echinococcus granulosus	nmda type glutamate receptor	0.024	0.0654	0.0654
Toxoplasma gondii	prolyl endopeptidase	0.3065	1	1
Brugia malayi	prolyl oligopeptidase family protein	0.049	0.148	0.148
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0421	0.1252	1
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.3065	1	1
Schistosoma mansoni	inhibitor of apoptosis protein	0.0158	0.0384	0.0384
Echinococcus multilocularis	NMDA receptor	0.0059	0.0056	0.0056
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0021	0.0021
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.0182	0.0182
Trypanosoma brucei	oligopeptidase b	0.1227	0.3919	0.385
Echinococcus granulosus	glutamate receptor NMDA	0.0081	0.0129	0.0129
Echinococcus multilocularis	nmda type glutamate receptor	0.0105	0.0207	0.0207
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0333	0.0964	0.0964
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0118	0.025	0.025
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0377	0.1108	0.1007
Echinococcus multilocularis	prolyl endopeptidase	0.3065	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.0251	0.0251
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0118	0.025	0.025
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.01	0.0191	0.0191
Onchocerca volvulus		0.0158	0.0384	0.0384
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0377	0.1108	0.105
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0384	0.0384
Schistosoma mansoni	transcription factor LCR-F1	0.0106	0.0212	0.0212
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0158	0.0384	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0016	0.0016
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0008	0.0008
Schistosoma mansoni	hypothetical protein	0.0158	0.0384	0.0384
Brugia malayi	thymidylate synthase	0.013	0.029	0.029
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0377	0.1108	0.1108
Brugia malayi	hypothetical protein	0.0044	0.0004	0.0004
Brugia malayi	prolyl oligopeptidase family protein	0.0377	0.1108	0.1108
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0008	0.0008
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0118	0.025	0.025
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0059	0.0056	0.0056
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0021	0.0021
Onchocerca volvulus		0.013	0.029	0.029
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0159	0.0385	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0379	0.1114	0.1114
Mycobacterium ulcerans	thymidylate synthase	0.013	0.029	0.0269
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0158	0.0384	0.0384
Echinococcus multilocularis	geminin	0.0165	0.0407	0.0407
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.049	0.148	0.148
Echinococcus granulosus	inhibitor of apoptosis protein	0.0158	0.0384	0.0384
Schistosoma mansoni	memapsin-2 (A01 family)	0.089	0.2806	0.2806
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0801	0.2511	0.2511
Echinococcus multilocularis	glutamate receptor 2	0.0118	0.025	0.025
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0008	0.0008
Trypanosoma cruzi	oligopeptidase b	0.1227	0.3919	0.388
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0333	0.0964	0.5
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0421	0.1252	0.1153
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0333	0.0964	1
Schistosoma mansoni	hypothetical protein	0.0059	0.0056	0.0056
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.1227	0.3919	0.385
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0333	0.0964	1
Leishmania major	C-8 sterol isomerase-like protein	0.0379	0.1114	0.1013
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0053	0.0036	0.0036
Brugia malayi	Subtilase family protein	0.0267	0.0743	0.0743
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0008	0.0008
Echinococcus multilocularis	glutamate receptor 2	0.0058	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0498	0.1506	0.1506
Schistosoma mansoni	glutamate receptor kainate	0.0094	0.0171	0.0171
Brugia malayi	Glutamate receptor 2 precursor	0.0094	0.0171	0.0171
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0094	0.0171	0.0171
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.0044	0.0044
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.2731	0.8897	1
Onchocerca volvulus	Deterin homolog	0.0158	0.0384	0.0384
Loa Loa (eye worm)	prolyl oligopeptidase	0.049	0.148	0.148
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0333	0.0964	0.0964
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0377	0.1108	0.1007
Entamoeba histolytica	hypothetical protein	0.0106	0.0212	0.0378
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.1227	0.3919	1
Echinococcus granulosus	dihydrofolate reductase	0.0676	0.2096	0.2096
Echinococcus granulosus	calpain A	0.0056	0.0044	0.0044
Echinococcus multilocularis	expressed conserved protein	0.0091	0.0163	0.0163
Schistosoma mansoni	hypothetical protein	0.0165	0.0407	0.0407
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0377	0.1108	0.105
Schistosoma mansoni	glutamate receptor AMPA	0.0094	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0384	0.0384
Echinococcus granulosus	nmda type glutamate receptor	0.0105	0.0207	0.0207
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0008	0.0008
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0267	0.0743	0.0743
Trypanosoma brucei	prolyl endopeptidase	0.3065	1	1
Mycobacterium tuberculosis	Probable peptidase	0.1227	0.3919	0.4365
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0421	0.1252	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.013	0.029	0.0255
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0059	0.0056	0.0056
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.1227	0.3919	0.4365
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.1227	0.3919	0.388
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0008	0.0008
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.0187	0.0187
Plasmodium falciparum	peptidase, putative	0.0333	0.0964	0.7466
Echinococcus multilocularis	glutamate receptor 2	0.0094	0.0171	0.0171
Echinococcus granulosus	Niemann Pick C1 protein	0.0139	0.032	0.032
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0004	0.0004
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0196	0.0509	0.0509
Schistosoma mansoni	glutamate receptor NMDA	0.0094	0.0171	0.0171
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0118	0.025	0.025
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.01	0.0191	0.0191
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0099	0.0189	0.0141
Trypanosoma cruzi	hypothetical protein, conserved	0.0333	0.0964	0.0905
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0333	0.0964	0.0964
Echinococcus multilocularis	sodium channel protein	0.0196	0.0509	0.0509
Brugia malayi	prolyl oligopeptidase family protein	0.0333	0.0964	0.0964
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0158	0.0384	0.0384
Echinococcus granulosus	thymidylate synthase	0.013	0.029	0.029
Onchocerca volvulus	Prolyl endopeptidase homolog	0.3065	1	1
Schistosoma mansoni	glutamate receptor kainate	0.0094	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0302	0.0302

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 6.45	Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)	ChEMBL.	6420569
Ki (binding)	= 7.24	Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)	ChEMBL.	6420569
Ki app (binding)	= 5.44	Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)	ChEMBL.	6796688
Ki app (binding)	= 5.44	Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)	ChEMBL.	6796688
Log 1/C (functional)	= 4.1	Inhibition of growth of methotrexate sensitive (MB1417) strain of Escherichia coli cells	ChEMBL.	3934385
Log 1/C (functional)	= 4.19	Inhibition of growth of methotrexate resistant (MB1428) strain of Escherichia coli cells	ChEMBL.	3934385
Log 1/C (binding)	= 6.08	Inhibitory activity against dihydrofolate reductase (DHFR) isolated from murine L5178Y tumor cells resistant and sensitive to methotrexate	ChEMBL.	6699880
Log 1/C (binding)	= 7.3	Inhibitory activity against dihydrofolate reductase (DHFR) isolated from murine L5178Y tumor cells resistant and sensitive to methotrexate	ChEMBL.	6699880
Log 1/C (functional)	= 4.1	Inhibition of growth of methotrexate sensitive (MB1417) strain of Escherichia coli cells	ChEMBL.	3934385
Log 1/C (functional)	= 4.19	Inhibition of growth of methotrexate resistant (MB1428) strain of Escherichia coli cells	ChEMBL.	3934385
Log 1/C (functional)	= 5.28	Inhibitory activity against methotrexate- sensitive Lactobacillus casei cells	ChEMBL.	6796688
Log 1/C (functional)	= 6.08	Compound was tested in vitro for concentration required to decrease 50% growth rate of murine leukemia L5178Y/R cell culture	ChEMBL.	7057421
Log 1/C (binding)	= 6.08	Inhibitory activity against dihydrofolate reductase (DHFR) isolated from murine L5178Y tumor cells resistant and sensitive to methotrexate	ChEMBL.	6699880
Log 1/C (functional)	= 7.3	Concentration required for inhibition of murine leukemia L5178Y cells	ChEMBL.	7057420
Log 1/C (binding)	= 7.3	Inhibitory activity against dihydrofolate reductase (DHFR) isolated from murine L5178Y tumor cells resistant and sensitive to methotrexate	ChEMBL.	6699880
Log 1/Ki (binding)	= 6.45	Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)	ChEMBL.	6420569
Log 1/Ki (binding)	= 7.24	Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)	ChEMBL.	6420569
Log 1/Ki app (binding)	= 6.06	Inhibition of Escherichia coli dihydrofolate reductase.	ChEMBL.	3934385

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: CHEMBL33558

Bibliographic References

6 literature references were collected for this gene.

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Detailed information for compound 43471