TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 431.459 | Formula: C20H19F2N5O2S
H donors: 1 H acceptors: 4 LogP: 3.08 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCn1c2nnc(n2c2c(c1=O)scc2)CCCC(=O)Nc1ccc(c(c1)F)F
InChi: 1S/C20H19F2N5O2S/c1-2-9-26-19(29)18-15(8-10-30-18)27-16(24-25-20(26)27)4-3-5-17(28)23-12-6-7-13(21)14(22)11-12/h6-8,10-11H,2-5,9H2,1H3,(H,23,28)
InChiKey: GLJFEUWKAJWBAU-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

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	0.0644	0.1991	0.3689
Plasmodium vivax	vivapain-3	0.0504	0.1366	0.4054
Schistosoma mansoni	glutamate receptor kainate	0.0242	0.0195	0.0317
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1397	0.5353	1
Brugia malayi	Cathepsin L-like precursor	0.0944	0.3331	0.6203
Echinococcus granulosus	cathepsin l1	0.0644	0.1991	0.3719
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Brugia malayi	cathepsin B-like cysteine proteinase	0.1397	0.5353	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.032	0.0544	0.1016
Plasmodium vivax	vivapain-2	0.0944	0.3331	1
Echinococcus multilocularis	glutamate receptor 2	0.0288	0.04	0.0748
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Onchocerca volvulus		0.0944	0.3331	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.03	0.0453	0.0802
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.032	0.0544	0.1016
Echinococcus granulosus	cysteine protease	0.0504	0.1366	0.2551
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0944	0.3331	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1397	0.5353	1
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0205	0.0029	0.5
Brugia malayi	Glutamate receptor 1 precursor	0.0242	0.0195	0.0317
Loa Loa (eye worm)	hypothetical protein	0.03	0.0453	0.0802
Brugia malayi	Cathepsin L-like precursor	0.0944	0.3331	0.6203
Leishmania major	cathepsin L-like protease	0.0944	0.3331	0.199
Schistosoma mansoni	ATP-binding cassette transporter	0.0242	0.0195	0.0317
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0242	0.0195	0.0364
Entamoeba histolytica	cysteine protease, putative	0.0944	0.3331	1
Echinococcus granulosus	nmda type glutamate receptor	0.0295	0.0429	0.0802
Loa Loa (eye worm)	glutamate receptor 2	0.0242	0.0195	0.0317
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0944	0.3331	0.6203
Echinococcus granulosus	cathepsin L cysteine protease	0.0504	0.1366	0.2551
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0944	0.3331	1
Onchocerca volvulus		0.0944	0.3331	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.032	0.0544	0.1016
Trypanosoma cruzi	cruzipain precursor, putative	0.03	0.0453	0.0428
Trypanosoma cruzi	cysteine peptidase, putative	0.2437	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0944	0.3331	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0504	0.1366	0.4054
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0288	0.04	0.0748
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Onchocerca volvulus		0.0644	0.1991	0.5946
Entamoeba histolytica	cysteine proteinase, putative	0.0944	0.3331	1
Leishmania major	cysteine peptidase A (CPA)	0.0944	0.3331	0.199
Loa Loa (eye worm)	hypothetical protein	0.03	0.0453	0.0802
Schistosoma mansoni	glutamate receptor NMDA	0.0288	0.04	0.0703
Loa Loa (eye worm)	cysteine protease	0.0944	0.3331	0.6203
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0504	0.1366	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0944	0.3331	0.3313
Leishmania major	cathepsin L-like protease	0.0944	0.3331	0.199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Loa Loa (eye worm)	hypothetical protein	0.0644	0.1991	0.3689
Onchocerca volvulus	Cathepsin L homolog	0.0944	0.3331	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0504	0.1366	0.2515
Trypanosoma cruzi	cysteine peptidase, putative	0.2437	1	1
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.032	0.0544	0.1016
Schistosoma mansoni	glutamate receptor kainate	0.0274	0.0339	0.0587
Entamoeba histolytica	cysteine proteinase, putative	0.0504	0.1366	0.4054
Echinococcus multilocularis	cysteine protease	0.0944	0.3331	0.6222
Loa Loa (eye worm)	cathepsin B	0.0573	0.1674	0.3093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0644	0.1991	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Entamoeba histolytica	cysteine proteinase, putative	0.0944	0.3331	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0944	0.3331	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.2137	0.866	0.8657
Brugia malayi	Cathepsin L-like precursor	0.0644	0.1991	0.3689
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Echinococcus granulosus	cathepsin L	0.0504	0.1366	0.2551
Leishmania major	cathepsin L-like protease	0.2437	1	1
Schistosoma mansoni	glutamate receptor kainate	0.0274	0.0339	0.0587
Onchocerca volvulus		0.0944	0.3331	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1397	0.5353	1
Brugia malayi	Papain family cysteine protease containing protein	0.0504	0.1366	0.2515
Loa Loa (eye worm)	hypothetical protein	0.0944	0.3331	0.6203
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Toxoplasma gondii	cathepsin CPL	0.0944	0.3331	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0504	0.1366	0.1343
Brugia malayi	Papain family cysteine protease containing protein	0.0504	0.1366	0.2515
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0504	0.1366	0.2515
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0944	0.3331	0.6203
Loa Loa (eye worm)	hypothetical protein	0.03	0.0453	0.0802
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0573	0.1674	0.0357
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0573	0.1674	0.1652
Echinococcus multilocularis	cathepsin b	0.1397	0.5353	1
Echinococcus granulosus	glutamate receptor 2	0.0288	0.04	0.0748
Trypanosoma cruzi	cysteine proteinase, putative	0.0504	0.1366	0.1343
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0327	0.0573	0.107
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.2437	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0573	0.1674	0.3093
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.03	0.0453	0.0802
Trypanosoma cruzi	cruzipain precursor, putative	0.2437	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0944	0.3331	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0944	0.3331	0.6203
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0944	0.3331	0.6203
Echinococcus granulosus	cathepsin L	0.0204	0.0026	0.0049
Plasmodium vivax	unspecified product	0.03	0.0453	0.1292
Echinococcus granulosus	cathepsin l1	0.0944	0.3331	0.6222
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0944	0.3331	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0504	0.1366	0.2515
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Schistosoma mansoni	glutamate receptor NMDA	0.0242	0.0195	0.0317
Entamoeba histolytica	cysteine proteinase, putative	0.0504	0.1366	0.4054
Loa Loa (eye worm)	fibroinase	0.0944	0.3331	0.6203
Schistosoma mansoni	cathepsin s	0.03	0.0453	0.0802
Loa Loa (eye worm)	glutamate receptor 1	0.0242	0.0195	0.0317
Giardia lamblia	Cathepsin B precursor	0.0573	0.1674	1
Echinococcus multilocularis	cathepsin b	0.1397	0.5353	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Onchocerca volvulus	Cathepsin F homolog	0.0944	0.3331	1
Entamoeba histolytica	cysteine proteinase, putative	0.0504	0.1366	0.4054
Brugia malayi	cathepsin L-like precursor	0.0644	0.1991	0.3689
Echinococcus multilocularis	nmda type glutamate receptor	0.0295	0.0429	0.0802
Echinococcus multilocularis	cathepsin L cysteine protease	0.0944	0.3331	0.6222
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0504	0.1366	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0944	0.3331	0.6203
Schistosoma mansoni	glutamate receptor AMPA	0.0242	0.0195	0.0317
Entamoeba histolytica	cysteine proteinase, putative	0.0504	0.1366	0.4054
Leishmania major	cathepsin L-like protease	0.0944	0.3331	0.199
Giardia lamblia	Cathepsin B precursor	0.0573	0.1674	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0504	0.1366	0.1343
Onchocerca volvulus		0.0944	0.3331	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0504	0.1366	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Trypanosoma cruzi	cysteine protease, putative	0.0504	0.1366	0.1343
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.03	0.0453	0.0802
Echinococcus multilocularis	cathepsin L cysteine protease	0.0944	0.3331	0.6222
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0944	0.3331	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0644	0.1991	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.032	0.0544	0.1016
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0944	0.3331	1
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0205	0.0029	0.5
Brugia malayi	Glutamate receptor 2 precursor	0.0242	0.0195	0.0317
Echinococcus multilocularis	cathepsin L	0.0504	0.1366	0.2551
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0944	0.3331	0.6222
Giardia lamblia	Cathepsin B precursor	0.0573	0.1674	1
Brugia malayi	Cathepsin L-like precursor	0.0944	0.3331	0.6203
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0944	0.3331	0.6222
Brugia malayi	Papain family cysteine protease containing protein	0.0944	0.3331	0.6203
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Onchocerca volvulus		0.0944	0.3331	1
Toxoplasma gondii	cathepsin B	0.0573	0.1674	0.4986
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0944	0.3331	1
Leishmania major	cathepsin L-like protease	0.0944	0.3331	0.199
Schistosoma mansoni	cathepsin F (C01 family)	0.0944	0.3331	0.6203
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0944	0.3331	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.032	0.0544	0.1016
Schistosoma mansoni	glutamate receptor AMPA	0.0242	0.0195	0.0317
Echinococcus multilocularis	glutamate receptor 2	0.0242	0.0195	0.0364
Trypanosoma cruzi	major cysteine proteinase, putative	0.1697	0.6695	0.6687
Leishmania major	cathepsin L-like protease	0.0944	0.3331	0.199
Chlamydia trachomatis	glutamine binding protein	0.0205	0.0029	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0944	0.3331	1
Onchocerca volvulus		0.0944	0.3331	1
Echinococcus multilocularis	cathepsin L	0.0204	0.0026	0.0049
Plasmodium vivax	vivapain-1	0.0504	0.1366	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0242	0.0195	0.0364
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0944	0.3331	0.6222
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1397	0.5353	0.5341
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2437	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0944	0.3331	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0944	0.3331	0.6203
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0644	0.1991	0.3689
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0288	0.04	0.0748
Trypanosoma cruzi	cysteine peptidase, putative	0.0504	0.1366	0.1343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0644	0.1991	0.5946
Echinococcus granulosus	cathepsin b	0.1397	0.5353	1
Leishmania major	cathepsin L-like protease	0.2437	1	1
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Echinococcus granulosus	cathepsin b	0.1397	0.5353	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0944	0.3331	1
Loa Loa (eye worm)	hypothetical protein	0.1397	0.5353	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0944	0.3331	1
Brugia malayi	Cathepsin L-like precursor	0.03	0.0453	0.0802
Entamoeba histolytica	cysteine proteinase 2	0.0504	0.1366	0.4054
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0205	0.0029	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1397	0.5353	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0944	0.3331	1
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0205	0.0029	0.5
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Plasmodium vivax	unspecified product	0.0504	0.1366	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0644	0.1991	0.3689
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0944	0.3331	0.6222
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Loa Loa (eye worm)	ctsf protein	0.0944	0.3331	0.6203
Onchocerca volvulus		0.0944	0.3331	1
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0205	0.0029	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Loa Loa (eye worm)	hypothetical protein	0.0644	0.1991	0.3689
Plasmodium vivax	vivapain-2	0.0944	0.3331	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0944	0.3331	1
Echinococcus multilocularis	cysteine protease	0.0944	0.3331	0.6222
Trypanosoma cruzi	cysteine peptidase, putative	0.03	0.0453	0.0428
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0573	0.1674	0.4986
Entamoeba histolytica	cysteine protease, putative	0.0504	0.1366	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0644	0.1991	0.3689

Activities

No activities found for this compound.

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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 864662