TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 400.43 | Formula: C23H20N4O3
H donors: 0 H acceptors: 4 LogP: 4.41 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cccc(c1)/C(=C/CCc1nnc(o1)C)/c1cc(C)c2c(c1)c(=O)n(o2)C
InChi: 1S/C23H20N4O3/c1-14-10-18(12-20-22(14)30-27(3)23(20)28)19(17-7-4-6-16(11-17)13-24)8-5-9-21-26-25-15(2)29-21/h4,6-8,10-12H,5,9H2,1-3H3/b19-8-
InChiKey: VRWKWRHSGYCFFP-UWVJOHFNSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	Cathepsin L-like precursor	0.0013	0.0013	0.0039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Brugia malayi	Cathepsin L-like precursor	0.002	0.0041	0.0122
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0105	0.0315
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0097	0.0371	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0027	0.0072	0.0072
Schistosoma mansoni	tyrosine kinase	0.0019	0.004	0.004
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.0041	0.0122
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0019	0.004	0.0081
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0027	0.0072	0.0072
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0038	0.0118	0.0355
Onchocerca volvulus		0.002	0.0041	0.0083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0105	0.0315
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0027	0.0072	0.0072
Leishmania major	cysteine peptidase A (CPA)	0.002	0.0041	0.0002
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Schistosoma mansoni	glutamate receptor NMDA	0.0102	0.0393	0.0393
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0013	0.0082
Schistosoma mansoni	glutamate receptor AMPA	0.0102	0.0393	0.0393
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0019	0.004	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0111	0.0297
Onchocerca volvulus		0.002	0.0041	0.0083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0013	0.0082
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0122	0.0476	0.1428
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0019	0.004	0.0119
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0122	0.0476	0.1428
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0033	0.0099	0.0099
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0035	0.0105	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0019	0.004	0.0081
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0951	0.4016	1
Echinococcus multilocularis	glutamate receptor 2	0.0102	0.0393	0.118
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0791	0.3334	0.3334
Schistosoma mansoni	protein kinase	0.0019	0.004	0.004
Echinococcus granulosus	tyrosine kinase	0.0019	0.004	0.0119
Brugia malayi	glutathione transferase	0.0056	0.0194	0.0583
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0122	0.0476	0.1428
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0105	0.0105
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0038	0.0118	0.0355
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0027	0.0072	0.0216
Echinococcus granulosus	glutamate receptor 2	0.0084	0.0315	0.0944
Schistosoma mansoni	metabotropic glutamate receptor	0.0019	0.004	0.004
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0122	0.0476	0.1428
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0013	0.3182
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0027	0.0072	0.0216
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Loa Loa (eye worm)	hypothetical protein	0.002	0.0041	0.0083
Echinococcus multilocularis	nmda type glutamate receptor	0.0135	0.0532	0.1597
Leishmania major	cathepsin L-like protease	0.002	0.0041	0.0002
Leishmania major	cathepsin L-like protease	0.002	0.0041	0.0002
Echinococcus multilocularis	cysteine protease	0.002	0.0041	0.0122
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0791	0.3334	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0033	0.0099	0.0298
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0102	0.0393	0.118
Onchocerca volvulus		0.0019	0.004	0.0081
Schistosoma mansoni	glutamate receptor kainate	0.0102	0.0393	0.0393
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0019	0.004	0.0081
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0019	0.004	0.0081
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0041	0.0041
Brugia malayi	metabotropic glutamate receptor type 2	0.0019	0.004	0.0119
Brugia malayi	Glutamate receptor 1 precursor	0.0102	0.0393	0.118
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0019	0.004	0.0081
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.0041	0.0101
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0418	0.1742	0.4628
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0019	0.004	0.0119
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0376	0.1563	0.3893
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0019	0.004	0.0081
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0038	0.0118	0.0355
Schistosoma mansoni	hypothetical protein	0.01	0.0383	0.0383
Echinococcus granulosus	glutamate receptor 2	0.0122	0.0476	0.1428
Echinococcus multilocularis	thymidylate synthase	0.0791	0.3334	1
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0038	0.0118	0.0355
Plasmodium falciparum	cysteine proteinase falcipain 3	0.002	0.0041	0.0101
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0041	0.0259
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.0013	0.0039
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0041	0.0259
Brugia malayi	jmjC domain containing protein	0.0035	0.0105	0.0315
Schistosoma mansoni	dihydrofolate reductase	0.0418	0.1742	0.1742
Leishmania major	cathepsin L-like protease	0.002	0.0041	0.0002
Onchocerca volvulus		0.002	0.0041	0.0083
Mycobacterium ulcerans	thymidylate synthase	0.0791	0.3334	1
Onchocerca volvulus		0.0019	0.004	0.0081
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0019	0.004	0.0119
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0019	0.004	0.0119
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0951	0.4016	1
Brugia malayi	Glutamate receptor 2 precursor	0.0102	0.0393	0.118
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0041	0.0122
Leishmania major	cathepsin L-like protease	0.002	0.0041	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0019	0.004	0.0081
Schistosoma mansoni	glutamate receptor kainate	0.0102	0.0393	0.0393
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0035	0.0105	0.0315
Loa Loa (eye worm)	glutamate receptor 1	0.0102	0.0393	0.1146
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0791	0.3334	1
Echinococcus granulosus	dihydrofolate reductase	0.0418	0.1742	0.5225
Schistosoma mansoni	metabotropic glutamate receptor	0.0019	0.004	0.004
Chlamydia trachomatis	dihydrofolate reductase	0.0418	0.1742	1
Trypanosoma cruzi	cruzipain precursor, putative	0.002	0.0041	0.0101
Brugia malayi	Guanylyl cyclase protein 23	0.0019	0.004	0.0119
Brugia malayi	SWIRM domain containing protein	0.0036	0.0111	0.0334
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0033	0.0099	0.0298
Trypanosoma cruzi	extracellular receptor, putative	0.0019	0.004	0.0099
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0041	0.0083
Loa Loa (eye worm)	glutamate receptor	0.0019	0.004	0.0081
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0041	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0041	0.0122
Echinococcus multilocularis	glutamate receptor 2	0.0084	0.0315	0.0944
Schistosoma mansoni	glutamate receptor AMPA	0.0102	0.0393	0.0393
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Onchocerca volvulus		0.0791	0.3334	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0027	0.0072	0.0216
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0019	0.004	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0019	0.004	0.0081
Schistosoma mansoni	glutamate receptor NMDA	0.0122	0.0476	0.0476
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.002	0.0041	0.0101
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0135	0.0532	0.1597
Leishmania major	cathepsin L-like protease	0.002	0.0041	0.0002
Echinococcus multilocularis	cysteine protease	0.002	0.0041	0.0122
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Entamoeba histolytica	hypothetical protein	0.0019	0.004	0.9812
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0418	0.1742	0.4628
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0041	0.0259
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0951	0.4016	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0041	0.0259
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0013	0.0013
Echinococcus multilocularis	tyrosine kinase	0.0019	0.004	0.0119
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0019	0.004	0.0081
Brugia malayi	cathepsin L-like precursor	0.0013	0.0013	0.0039
Brugia malayi	GnHR receptor homolog	0.0122	0.0476	0.1429
Echinococcus multilocularis	dihydrofolate reductase	0.0418	0.1742	0.5225
Brugia malayi	Receptor family ligand binding region containing protein	0.0019	0.004	0.0119
Onchocerca volvulus		0.002	0.0041	0.0083
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0041	0.0083
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.0041	0.0101
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0019	0.004	0.0119
Loa Loa (eye worm)	glutamate receptor 2	0.0102	0.0393	0.1146
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0041	0.0122
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0013	0.0039
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0041	0.0259
Loa Loa (eye worm)	ctsf protein	0.002	0.0041	0.0083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0041	0.0259
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0122	0.0476	0.1428
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0105	0.0105
Echinococcus granulosus	receptor type guanylyl cyclase	0.0019	0.004	0.0119
Schistosoma mansoni	hypothetical protein	0.0038	0.0118	0.0118
Brugia malayi	hypothetical protein	0.0376	0.1563	0.469
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0041	0.0259
Entamoeba histolytica	cysteine protease, putative	0.002	0.0041	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.004	0.0081
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0027	0.0072	0.0216
Onchocerca volvulus		0.002	0.0041	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0019	0.004	0.0081
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.0041	0.0083
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0041	0.0083
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0038	0.0118	0.0355
Schistosoma mansoni	hypothetical protein	0.01	0.0383	0.0383
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0097	0.0371	0.5
Brugia malayi	Receptor family ligand binding region containing protein	0.0019	0.004	0.0119
Brugia malayi	hypothetical protein	0.0019	0.004	0.0119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Brugia malayi	Cathepsin L-like precursor	0.002	0.0041	0.0122
Plasmodium vivax	vivapain-2	0.002	0.0041	0.0101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0041	0.0259
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0105	0.0277
Echinococcus multilocularis	geminin	0.01	0.0383	0.115
Schistosoma mansoni	jumonji domain containing protein	0.0035	0.0105	0.0105
Echinococcus granulosus	geminin	0.01	0.0383	0.115
Onchocerca volvulus		0.002	0.0041	0.0083
Loa Loa (eye worm)	fibroinase	0.002	0.0041	0.0083
Loa Loa (eye worm)	cysteine protease	0.002	0.0041	0.0083
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0041	0.0259
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0041	0.0122
Trichomonas vaginalis	conserved hypothetical protein	0.0376	0.1563	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.004	0.0081
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0019	0.004	0.0119
Echinococcus granulosus	nmda type glutamate receptor	0.0019	0.004	0.0119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Brugia malayi	thymidylate synthase	0.0791	0.3334	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0122	0.0476	0.1428
Plasmodium vivax	vivapain-2	0.002	0.0041	0.0101
Echinococcus multilocularis	glutamate receptor 2	0.0122	0.0476	0.1428
Schistosoma mansoni	tyrosine kinase	0.0019	0.004	0.004
Onchocerca volvulus	Cathepsin F homolog	0.002	0.0041	0.0083
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0951	0.4016	1
Brugia malayi	dihydrofolate reductase family protein	0.0418	0.1742	0.5225
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0122	0.0476	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0019	0.004	0.0081
Onchocerca volvulus		0.0036	0.0111	0.0297
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0102	0.0393	0.118
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0027	0.0072	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0099	0.0261
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0041	0.0122
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0951	0.4016	1
Echinococcus multilocularis	NMDA receptor	0.0038	0.0118	0.0355
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0013	0.0013	0.0032
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.0041	0.0101
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0041	0.0041
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0041	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0194	0.0547
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0122	0.0476	0.1428
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0041	0.0259
Brugia malayi	Cathepsin L-like precursor	0.002	0.0041	0.0122
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0428	0.1783	0.1783
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.0041	0.0101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Echinococcus granulosus	cathepsin l1	0.002	0.0041	0.0122
Leishmania major	cathepsin L-like protease	0.002	0.0041	0.0002
Echinococcus granulosus	thymidylate synthase	0.0791	0.3334	1
Echinococcus multilocularis	nmda type glutamate receptor	0.0019	0.004	0.0119
Schistosoma mansoni	ATP-binding cassette transporter	0.0102	0.0393	0.0393
Schistosoma mansoni	glutamate receptor kainate	0.0102	0.0393	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0019	0.004	0.0081
Onchocerca volvulus		0.002	0.0041	0.0083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0041	0.0259
Echinococcus granulosus	cathepsin l1	0.0013	0.0013	0.0039
Brugia malayi	jmjC domain containing protein	0.0035	0.0105	0.0315
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0038	0.0118	0.0355
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0019	0.004	0.0119
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0951	0.4016	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.0041	0.0122
Brugia malayi	Dihydrofolate reductase	0.0418	0.1742	0.5225
Loa Loa (eye worm)	dihydrofolate reductase	0.0418	0.1742	0.5207
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0019	0.004	0.0081
Leishmania major	cathepsin L-like protease	0.002	0.0041	0.0002
Loa Loa (eye worm)	thymidylate synthase	0.0791	0.3334	1
Mycobacterium tuberculosis	Hypothetical protein	0.0376	0.1563	0.4025
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0038	0.0118	0.0355
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0019	0.004	0.0119
Brugia malayi	Cathepsin L-like precursor	0.002	0.0041	0.0122
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0041	0.0122
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.002	0.0041	0.0101
Brugia malayi	Cathepsin L-like precursor	0.002	0.0041	0.0122
Leishmania major	cathepsin L-like protease	0.002	0.0041	0.0002
Echinococcus granulosus	nmda type glutamate receptor	0.0135	0.0532	0.1597
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0041	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0099	0.0261
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0027	0.0072	0.0216
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.002	0.0041	0.0101

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Antiviral activity against HIV1RF infected in human CEM-SS cells	ChEMBL.	18083556
Activity (functional)	0	Antiviral activity against HIV2ROD infected in human MT4 cells	ChEMBL.	18083556
Activity (functional)	0	Antiviral activity against HIV13B infected in human MT4 cells	ChEMBL.	18083556
CC50 (ADMET)	= 0.97 uM	Cytotoxicity against mock-infected human MT4 cells by MTT assay	ChEMBL.	18083556
CC50 (ADMET)	= 0.97 uM	Cytotoxicity against mock-infected human MT4 cells by MTT assay	ChEMBL.	18083556
CC50 (ADMET)	= 1.1 uM	Cytotoxicity against human HIV1RF infected CEM-SS cells by MTT assay	ChEMBL.	18083556
CC50 (ADMET)	= 1.1 uM	Cytotoxicity against human HIV1RF infected CEM-SS cells by MTT assay	ChEMBL.	18083556
IC50 (binding)	> 40 uM	Inhibition of tubulin (unknown origin) polymerization after 20 mins	ChEMBL.	18083556
IC50 (binding)	= 40 uM	Inhibition of HIV1 reverse transcriptase	ChEMBL.	18083556
IC50 (binding)	= 40 uM	Inhibition of HIV1 reverse transcriptase	ChEMBL.	18083556

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: CHEMBL256806

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 520727