TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.446 | Formula: C22H18FNO4S
H donors: 0 H acceptors: 3 LogP: 4.35 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)/C=C/1\SC(=O)N(C1=O)C(c1ccccc1F)C(=O)C1CC1
InChi: 1S/C22H18FNO4S/c1-28-15-10-6-13(7-11-15)12-18-21(26)24(22(27)29-18)19(20(25)14-8-9-14)16-4-2-3-5-17(16)23/h2-7,10-12,14,19H,8-9H2,1H3/b18-12-
InChiKey: BIKIDUUDQTWLPX-PDGQHHTCSA-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
Echinococcus granulosus	calpain 5	0.0017	0.0003	0.0005
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.002	0.0012	0.0448
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0016	0.0001	0.005
Echinococcus granulosus	microtubule associated protein 2	0.0806	0.2796	0.5092
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.0162	0.0295
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0003	0.0193
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0003	0.0193
Loa Loa (eye worm)	calpain	0.0017	0.0003	0.0005
Onchocerca volvulus	Alhambra homolog	0.005	0.0121	0.016
Echinococcus granulosus	GPCR family 2	0.0028	0.004	0.0073
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0165	0.0526	0.0958
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0021	0.0018	0.0016
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0091	0.0266	0.8737
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.0162	0.0295
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0083	0.0236	0.2629
Schistosoma mansoni	hypothetical protein	0.0293	0.0978	0.1782
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0041	0.0086	0.0157
Trichomonas vaginalis	glucosylceramidase, putative	0.0309	0.1034	0.187
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0102	0.0304	1
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0025	0.0028
Plasmodium falciparum	phd finger protein, putative	0.005	0.0121	0.4541
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0091	0.0266	0.8737
Schistosoma mansoni	hypothetical protein	0.0028	0.004	0.0073
Schistosoma mansoni	calpain-7 (C02 family)	0.0017	0.0003	0.0005
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0041	0.0086	0.0157
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0028	0.004	0.0073
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0267	0.0889	1
Echinococcus multilocularis	calpain 5	0.0017	0.0003	0.0005
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0041	0.0086	0.0157
Giardia lamblia	Kinase, TTK	0.1568	0.549	1
Echinococcus granulosus	peregrin	0.0054	0.0135	0.0246
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0018	0.0016
Schistosoma mansoni	hypothetical protein	0.0028	0.004	0.0073
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0266	0.0038
Echinococcus granulosus	neuropeptide s receptor	0.0413	0.1404	0.2558
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0375	0.0683
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0035	0.0067	0.0062
Trichomonas vaginalis	glucosylceramidase, putative	0.0446	0.1521	0.2759
Schistosoma mansoni	zinc finger protein	0.0026	0.0036	0.0066
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0003	0.0193
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0682	0.2357	0.4293
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0067	0.018	0.0328
Trichomonas vaginalis	chromobox protein, putative	0.0058	0.0149	0.0256
Echinococcus granulosus	geminin	0.0293	0.0978	0.1782
Brugia malayi	Bromodomain containing protein	0.0054	0.0135	0.0246
Brugia malayi	Niemann-Pick C1 protein precursor	0.0083	0.0236	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0097	0.0176
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0042	0.0091	0.0165
Loa Loa (eye worm)	hypothetical protein	0.004	0.0085	0.0154
Toxoplasma gondii	PHD-finger domain-containing protein	0.005	0.0121	0.3967
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0023	0.0022	0.004
Toxoplasma gondii	PHD-finger domain-containing protein	0.0016	0.0001	0.0024
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.006	0.0155	0.0283
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0028	0.004	0.0073
Loa Loa (eye worm)	hypothetical protein	0.004	0.0085	0.0154
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0023	0.0022	0.004
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0029	0.0047	0.0085
Schistosoma mansoni	chromobox protein	0.0058	0.0149	0.0272
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0032	0.0056	0.0102
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0041	0.0086	0.0157
Brugia malayi	PHD-finger family protein	0.0023	0.0023	0.0042
Echinococcus granulosus	chromobox protein 1	0.0058	0.0149	0.0272
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0087	0.0252	0.0459
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0003	0.0193
Echinococcus multilocularis	calpain family protein 1, d	0.004	0.0085	0.0154
Schistosoma mansoni	hypothetical protein	0.0034	0.0064	0.0116
Brugia malayi	calpain 7	0.0017	0.0003	0.0005
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0032	0.0056	0.2109
Trypanosoma cruzi	DNA repair protein, putative	0.0028	0.0041	0.2854
Echinococcus granulosus	neuropeptide receptor A26	0.0413	0.1404	0.2558
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0003	0.0193
Schistosoma mansoni	Replicative DNA helicase	0.0324	0.1089	0.1984
Brugia malayi	Probable ClpP-like protease	0.0091	0.0266	0.0484
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0266	0.0038
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0266	1
Trypanosoma brucei	calpain-like protein, putative	0.0017	0.0003	0.0193
Leishmania major	hypothetical protein, conserved	0.0026	0.0036	0.2502
Trichomonas vaginalis	glucosylceramidase, putative	0.0446	0.1521	0.2759
Schistosoma mansoni	peptidase Clp (S14 family)	0.0091	0.0266	0.0484
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0032	0.0056	0.0102
Echinococcus granulosus	dnaJ subfamily B	0.0738	0.2553	0.465
Echinococcus multilocularis	cpg binding protein	0.0058	0.0148	0.0269
Schistosoma mansoni	hypothetical protein	0.0293	0.0978	0.1782
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0041	0.0086	0.0157
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0106	0.0318	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0236	0.0429
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0446	0.1521	0.2771
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0033	0.0061
Trichomonas vaginalis	glucosylceramidase, putative	0.0446	0.1521	0.2759
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0017	0.0003	0.0193
Echinococcus granulosus	calpain A	0.0017	0.0003	0.0005
Echinococcus multilocularis	chromobox protein 1	0.0058	0.0149	0.0272
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.006	0.0154	0.0307
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0068	0.0108
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0018	0.0016
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0018	0.0016
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0058	0.009
Schistosoma mansoni	hypothetical protein	0.0034	0.0064	0.0116
Echinococcus multilocularis	expressed conserved protein	0.0078	0.0218	0.0397
Trichomonas vaginalis	chromobox protein, putative	0.0035	0.0067	0.0106
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.006	0.0155	0.0283
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0058	0.009
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0177	0.0322
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0165	0.0526	0.0958
Loa Loa (eye worm)	PHD-finger family protein	0.005	0.0121	0.022
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0028	0.004	0.0073
Brugia malayi	calpain family protein 1	0.0057	0.0145	0.0264
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0032	0.0056	0.0102
Toxoplasma gondii	hypothetical protein	0.0031	0.0054	0.1771
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0032	0.0056	0.0086
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.1568	0.549	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0067	0.018	0.0328
Trypanosoma cruzi	ISWI complex protein	0.0026	0.0036	0.2502
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0091	0.0266	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0252	0.0459
Trichomonas vaginalis	CAMK family protein kinase	0.1568	0.549	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0003	0.0193
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.006	0.0155	0.0283
Brugia malayi	PHD-finger family protein	0.005	0.0121	0.022
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0145	0.0264
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0266	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0214	0.0389
Echinococcus granulosus	Niemann Pick C1 protein	0.0118	0.0361	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0248	0.0452
Brugia malayi	latrophilin 2 splice variant baaae	0.006	0.0154	0.028
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0032	0.0056	0.3897
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0018	0.0016
Echinococcus multilocularis	lysine specific demethylase 5A	0.0061	0.0158	0.0288
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0131	0.0405	0.0254
Trichomonas vaginalis	glucosylceramidase, putative	0.0446	0.1521	0.2759
Echinococcus multilocularis	sterol regulatory element binding protein	0.0036	0.0068	0.0124
Plasmodium vivax	hypothetical protein, conserved	0.002	0.0012	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0051	0.0092
Trypanosoma brucei	recA bacterial DNA recombination protein, putative	0.0028	0.0041	0.2854
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0978	0.1768
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0003	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0145	0.0264
Brugia malayi	jmjC domain containing protein	0.0067	0.018	0.0328
Loa Loa (eye worm)	TTK protein kinase	0.1568	0.549	1
Onchocerca volvulus		0.0052	0.0126	0.0169
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0032	0.0056	0.0102
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.0889	0.1605
Plasmodium vivax	calpain, putative	0.0017	0.0003	0.0104
Echinococcus multilocularis	Niemann Pick C1 protein	0.0083	0.0236	0.0429
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0267	0.0889	1
Brugia malayi	Bromodomain containing protein	0.0133	0.0411	0.0749
Echinococcus multilocularis	jumonji domain containing protein	0.007	0.0191	0.0347
Mycobacterium leprae	Conserved hypothetical protein	0.0956	0.3324	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0293	0.0978	0.1732
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0041	0.0086	0.0157
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0121	0.4541
Entamoeba histolytica	CAAX prenyl protease, putative	0.0057	0.0144	0.1593
Schistosoma mansoni	cpg binding protein	0.0058	0.0148	0.0269
Toxoplasma gondii	CAAX metallo endopeptidase	0.0057	0.0144	0.4729
Entamoeba histolytica	protein kinase, putative	0.0027	0.0038	0.04
Echinococcus granulosus	calpain 7 C02 family	0.0017	0.0003	0.0005
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0131	0.0405	0.1717
Echinococcus multilocularis	dual specificity serine:threonine tyrosine	0.1568	0.549	1
Echinococcus multilocularis	chromobox protein 1	0.0058	0.0149	0.0272
Schistosoma mansoni	hypothetical protein	0.0028	0.004	0.0073
Trypanosoma cruzi	DNA repair protein, putative	0.0028	0.0041	0.2854
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0036	0.0068	0.0124
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0021	0.0018	0.0016
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0032	0.0056	0.0086
Echinococcus multilocularis	zinc finger protein	0.0037	0.0073	0.0132
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0131	0.0405	0.1073
Echinococcus granulosus	PHD finger protein rhinoceros	0.005	0.0121	0.022
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0106	0.0318	0.0579
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.0889	0.1605
Echinococcus granulosus	Protein patched homolog 1	0.0036	0.0068	0.0124
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0032	0.0056	0.0602
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0028	0.004	0.0073
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0032	0.0056	0.0102
Treponema pallidum	recombinase A	0.009	0.0263	0.2017
Echinococcus multilocularis	Niemann Pick C1 protein	0.0118	0.0361	0.0658
Trypanosoma brucei	calpain-like protein, putative	0.0017	0.0003	0.0193
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0016	0.0001	0.005
Schistosoma mansoni	hypothetical protein	0.0738	0.2553	0.465
Echinococcus multilocularis	neuropeptide receptor A26	0.0413	0.1404	0.2558
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.011	0.0331	0.0603
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0051	0.0092
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0087	0.0252	0.0459
Schistosoma mansoni	calpain-7 (C02 family)	0.0017	0.0003	0.0005
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0051	0.0092
Schistosoma mansoni	calpain C (C02 family)	0.0017	0.0003	0.0005
Wolbachia endosymbiont of Brugia malayi	replicative DNA helicase	0.0324	0.1089	1
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0032	0.0056	0.0102
Schistosoma mansoni	jumonji domain containing protein	0.0131	0.0406	0.074
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0032	0.0056	0.1843
Schistosoma mansoni	calpain (C02 family)	0.0017	0.0003	0.0005
Schistosoma mansoni	hypothetical protein	0.0034	0.0064	0.0116
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0978	0.1768
Schistosoma mansoni	hypothetical protein	0.0026	0.0036	0.0066
Loa Loa (eye worm)	hypothetical protein	0.006	0.0154	0.028
Schistosoma mansoni	microtubule-associated protein tau	0.0806	0.2796	0.5092
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0041	0.0086	0.0157
Brugia malayi	F/Y-rich N-terminus family protein	0.0036	0.0068	0.0125
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.0889	0.1605
Mycobacterium leprae	PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase	0.0324	0.1089	0.3167
Leishmania major	CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48	0.0057	0.0144	1
Brugia malayi	CXXC zinc finger family protein	0.0052	0.0126	0.0229
Brugia malayi	CHE-14 protein	0.0036	0.0068	0.0124
Loa Loa (eye worm)	hypothetical protein	0.007	0.0192	0.0349
Echinococcus multilocularis	calpain A	0.006	0.0155	0.0283
Trypanosoma cruzi	metallo- peptidase, Clan M- Family M48	0.0057	0.0144	1
Echinococcus multilocularis	calpain 7 (C02 family)	0.0017	0.0003	0.0005
Trypanosoma brucei	kinesin, putative	0.0017	0.0003	0.0193
Echinococcus granulosus	Niemann Pick C1 protein	0.0083	0.0236	0.0429
Schistosoma mansoni	bromodomain containing protein	0.0112	0.034	0.0619
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0087	0.0252	0.0459
Loa Loa (eye worm)	heterochromatin protein 1	0.0058	0.0149	0.0272
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0029	0.0046	0.0084
Trichomonas vaginalis	Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase	0.0057	0.0144	0.0246
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0032	0.0056	0.2109
Brugia malayi	AF-10 protein	0.0016	0.0001	0.0001
Loa Loa (eye worm)	peptidase family M48 containing protein	0.0057	0.0144	0.0262
Loa Loa (eye worm)	jmjC domain-containing protein	0.0104	0.031	0.0565
Echinococcus granulosus	dual specificity serine:threonine tyrosine	0.1568	0.549	1
Trypanosoma cruzi	CAAX prenyl protease 1, putative	0.0057	0.0144	1
Brugia malayi	Protein kinase domain containing protein	0.1568	0.549	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.0889	0.1605
Brugia malayi	Heterochromatin protein 1	0.0058	0.0149	0.0272
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0003	0.0193
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0091	0.0266	0.0648
Brugia malayi	calpain 5	0.0017	0.0003	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0058	0.0106
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0978	0.1768
Trypanosoma brucei	metallo- peptidase, Clan M- Family M48	0.0057	0.0144	1
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0446	0.1521	0.2771
Echinococcus multilocularis	neuropeptide s receptor	0.0413	0.1404	0.2558
Echinococcus granulosus	fetal alzheimer antigen falz	0.0042	0.0091	0.0165
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.0889	0.1605
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0017	0.0003	0.0005
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0091	0.0266	1
Brugia malayi	jmjC domain containing protein	0.0165	0.0526	0.0958
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0266	0.0484
Schistosoma mansoni	hypothetical protein	0.006	0.0154	0.028
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0266	0.0038
Brugia malayi	calpain family protein 1	0.0057	0.0145	0.0264
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0003	0.0193
Brugia malayi	chromobox protein homolog 3	0.0033	0.0058	0.0106
Echinococcus granulosus	zinc finger protein	0.0037	0.0073	0.0132
Mycobacterium ulcerans	replicative DNA helicase DnaB	0.0324	0.1089	1
Schistosoma mansoni	chromobox protein	0.0058	0.0149	0.0272
Brugia malayi	PHD-finger family protein	0.0046	0.0105	0.0192
Schistosoma mansoni	patched 1	0.0036	0.0068	0.0124
Echinococcus multilocularis	geminin	0.0293	0.0978	0.1782
Echinococcus granulosus	caax prenyl protease 1	0.0057	0.0144	0.0262
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0003	0.0193
Treponema pallidum	replicative DNA helicase (dnaB)	0.0324	0.1089	1
Schistosoma mansoni	cpg binding protein	0.0058	0.0148	0.0269
Trichomonas vaginalis	CAMK family protein kinase	0.1568	0.549	1
Schistosoma mansoni	cpg binding protein	0.0052	0.0126	0.0229
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0029	0.0047	0.0085
Trypanosoma brucei	calpain-like protein, putative	0.0017	0.0003	0.0193
Echinococcus multilocularis	protein patched	0.0036	0.0068	0.0124
Echinococcus granulosus	chromobox protein 1	0.0058	0.0149	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0028	0.004	0.0073
Schistosoma mansoni	zinc finger protein	0.0037	0.0073	0.0132
Echinococcus granulosus	sterol regulatory element binding protein	0.0036	0.0068	0.0124
Schistosoma mansoni	hypothetical protein	0.0016	0.0001	0.0001
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.0889	0.1605
Trichomonas vaginalis	glucosylceramidase, putative	0.0309	0.1034	0.187
Echinococcus granulosus	calpain	0.0017	0.0003	0.0005
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0029	0.0047	0.0085
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.005	0.0121	0.022
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0041	0.0086	0.0157
Trichomonas vaginalis	chromobox protein, putative	0.0035	0.0067	0.0106
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0031	0.0054	0.2027
Loa Loa (eye worm)	twinkle helicase	0.0093	0.027	0.0492
Echinococcus multilocularis	calpain	0.0017	0.0003	0.0005
Echinococcus granulosus	jumonji domain containing protein	0.007	0.0191	0.0347
Echinococcus multilocularis	hypothetical protein	0.0017	0.0003	0.0005
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0978	0.1768
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0031	0.0054	0.2027
Brugia malayi	Bromodomain containing protein	0.0066	0.0177	0.0322
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.006	0.0155	0.0283
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0032	0.0056	0.3897
Echinococcus granulosus	expressed conserved protein	0.0078	0.0218	0.0397
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.0889	0.1605
Loa Loa (eye worm)	PHD-finger family protein	0.0036	0.0069	0.0125
Treponema pallidum	fructose-bisphosphate aldolase	0.0267	0.0889	0.8062
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0042	0.0091	0.0165
Giardia lamblia	Fructose-bisphosphate aldolase	0.0267	0.0889	0.143
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0051	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0023	0.0042
Loa Loa (eye worm)	jmjC domain-containing protein	0.0067	0.018	0.0328
Schistosoma mansoni	hypothetical protein	0.0036	0.0069	0.0125
Trypanosoma brucei	calpain-like protein, putative	0.0017	0.0003	0.0193
Schistosoma mansoni	farnesylated-protein converting enzyme 1 (M48 family)	0.0057	0.0144	0.0262
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0018	0.0016
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0067	0.018	0.0328
Echinococcus granulosus	calpain A	0.006	0.0155	0.0283
Echinococcus multilocularis	caax prenyl protease 1	0.0057	0.0144	0.0262
Trichomonas vaginalis	chromobox protein, putative	0.0058	0.0149	0.0256
Brugia malayi	Peptidase family M48 containing protein	0.0057	0.0144	0.0262
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0266	0.0038
Trichomonas vaginalis	glucosylceramidase, putative	0.0446	0.1521	0.2759
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.0889	0.1605
Mycobacterium tuberculosis	RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)].	0.2609	0.9173	0.916
Echinococcus granulosus	cpg binding protein	0.0058	0.0148	0.0269
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0028	0.004	0.0073
Brugia malayi	Latrophilin receptor protein 2	0.0028	0.004	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0068	0.0124
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0978	0.1768
Mycobacterium leprae	RECA PROTEIN (RECOMBINASE A) [CONTAINS: Mle RECA INTEIN].	0.009	0.0263	0.0639
Schistosoma mansoni	dual specificity serine/threonine tyrosine kinase	0.1568	0.549	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0041	0.0086	0.0157
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0978	0.1768
Echinococcus multilocularis	PHD finger protein rhinoceros	0.005	0.0121	0.022
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0021	0.0018	0.0016
Echinococcus multilocularis	peptidase Clp (S14 family)	0.006	0.0154	0.0281
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0032	0.0056	0.0102
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.0016	0.0001	0.0024
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0017	0.0003	0.0193
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0266	0.2047
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0057	0.0145	0.0264
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0084	0.024	0.0437
Trypanosoma cruzi	kinesin, putative	0.0017	0.0003	0.0193
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0033	0.0058	0.0046
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0052	0.0126	0.0229
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0051	0.0092
Trypanosoma cruzi	ISWI complex protein	0.0026	0.0036	0.2502
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0028	0.004	0.0073
Trypanosoma cruzi	kinesin, putative	0.0017	0.0003	0.0193
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0032	0.0056	0.3897
Echinococcus multilocularis	peregrin	0.0054	0.0135	0.0246
Loa Loa (eye worm)	calpain family protein 1	0.0057	0.0145	0.0264
Echinococcus multilocularis	dnaJ subfamily B	0.0738	0.2553	0.465
Echinococcus multilocularis	protein dispatched 1	0.0041	0.0086	0.0157
Loa Loa (eye worm)	calpain 5	0.0017	0.0003	0.0005
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0003	0.0193
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0032	0.0056	0.3897
Echinococcus granulosus	peptidase Clp S14 family	0.006	0.0154	0.0281
Schistosoma mansoni	hypothetical protein	0.0028	0.004	0.0073
Trypanosoma brucei	ISWI complex protein	0.0026	0.0036	0.2502
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0029	0.0047	0.0085
Trichomonas vaginalis	glucosylceramidase, putative	0.0446	0.1521	0.2759
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0091	0.0266	0.0484
Schistosoma mansoni	hypothetical protein	0.0034	0.0064	0.0116
Loa Loa (eye worm)	calpain family protein 1	0.004	0.0085	0.0154
Loa Loa (eye worm)	bromodomain containing protein	0.0031	0.005	0.0092
Chlamydia trachomatis	replicative DNA helicase	0.0324	0.1089	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.005	0.0121	0.3967
Echinococcus multilocularis	GPCR, family 2	0.0028	0.004	0.0073
Trypanosoma brucei	antigen, putative	0.0017	0.0003	0.0193
Leishmania major	kinesin, putative	0.0017	0.0003	0.0193
Echinococcus multilocularis	microtubule associated protein 2	0.0806	0.2796	0.5092
Trichomonas vaginalis	Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase	0.0057	0.0144	0.0246
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0025	0.0028
Trichomonas vaginalis	glucosylceramidase, putative	0.0293	0.0978	0.1768
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0003	0.0193
Schistosoma mansoni	hypothetical protein	0.005	0.0121	0.022
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0003	0.0193
Loa Loa (eye worm)	hypothetical protein	0.005	0.0121	0.022
Onchocerca volvulus		0.004	0.0085	0.0094

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 11 uM	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition by Alamar Blue staining-based broth microdilution assay	ChEMBL.	24472146
EC90 (functional)	= 27 uM	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition by Alamar Blue staining-based broth microdilution assay	ChEMBL.	24472146
MIC90 (functional)	= 25 uM	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition by Alamar Blue staining-based broth microdilution assay	ChEMBL.	24472146
Ratio (functional)	= 4	Potency index, ratio of pyrimethamine MIC90 to compound MIC90 for Mycobacterium tuberculosis H37Rv	ChEMBL.	24472146

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mycobacterium tuberculosis		24472146

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

ChEMBL: CHEMBL3120387

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1833316