TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 675.877 | Formula: C25H29ClIN4O8-
H donors: 6 H acceptors: 8 LogP: 1.68 Rotable bonds: 6
Rule of 5 violations (Lipinski): 3
SMILES: CN(CC(=O)Nc1cc(I)c2c(c1O)C(=O)C1=C(O)[C@]3(C(CC1C2)[C@@H](N(C)C)C(=O)C(=C3O)C(=O)N)O)C.[Cl-]
InChi: 1S/C25H29IN4O8.ClH/c1-29(2)8-14(31)28-13-7-12(26)10-5-9-6-11-18(30(3)4)21(34)17(24(27)37)23(36)25(11,38)22(35)15(9)20(33)16(10)19(13)32;/h7,9,11,18,32,35-36,38H,5-6,8H2,1-4H3,(H2,27,37)(H,28,31);1H/p-1/t9?,11?,18-,25-;/m0./s1
InChiKey: AOJAIQGVTWXWEJ-XEVFYYDASA-M

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
Loa Loa (eye worm)	hypothetical protein	0.012	0.3242	0.351
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0034	0.0482	0.0984
Trichomonas vaginalis	glucosylceramidase, putative	0.0306	0.9237	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0482	0.0347
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0241	0.7151	1
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0034	0.0482	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0482	0.0521
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0608	0.1631
Loa Loa (eye worm)	hypothetical protein	0.0021	0.007	0.0076
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.0129	0.0139
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0124	0.3368	0.471
Echinococcus granulosus	zinc phosphodiesterase	0.0034	0.0482	0.0482
Schistosoma mansoni	hypothetical protein	0.0021	0.007	0.0098
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0306	0.9237	1
Schistosoma mansoni	hypothetical protein	0.0168	0.4804	0.6718
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0034	0.0482	0.1282
Trypanosoma cruzi	glyoxalase II	0.0034	0.0482	0.1282
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0124	0.3368	0.3529
Brugia malayi	Rhodanese-like domain containing protein	0.012	0.3242	0.346
Echinococcus multilocularis	chromobox protein 1	0.0078	0.1893	0.1893
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.007	0.1646	0.1646
Loa Loa (eye worm)	acetyltransferase	0.0143	0.4003	0.4334
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.007	0.007
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.0804	0.2226
Brugia malayi	Muscleblind-like protein	0.0158	0.4474	0.4804
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0147	0.4138	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0482	0.0674
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0198	0.0198
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0241	0.7151	0.7151
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.012	0.3242	0.4534
Schistosoma mansoni	lipoxygenase	0.0089	0.2245	0.314
Onchocerca volvulus	Glucosylceramidase homolog	0.0201	0.585	1
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0034	0.0482	0.0482
Trichomonas vaginalis	cdc25b, putative	0.012	0.3242	0.3391
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0061	0.134	0.2348
Brugia malayi	follicle stimulating hormone receptor	0.0241	0.7164	0.7738
Trichomonas vaginalis	beta lactamase domain, putative	0.0034	0.0482	0.0347
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.007	0.007
Loa Loa (eye worm)	TAR-binding protein	0.0208	0.6097	0.66
Echinococcus multilocularis	geminin	0.0168	0.4804	0.4804
Echinococcus multilocularis	serine protein kinase ATM	0.0024	0.0167	0.0167
Brugia malayi	acetyltransferase, GNAT family protein	0.0143	0.4003	0.429
Echinococcus granulosus	Polycystic kidney disease protein	0.0021	0.007	0.007
Schistosoma mansoni	hypothetical protein	0.0023	0.0129	0.018
Trichomonas vaginalis	glucosylceramidase, putative	0.0306	0.9237	1
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0034	0.0482	0.1282
Loa Loa (eye worm)	RNA binding protein	0.0208	0.6097	0.66
Echinococcus multilocularis	Polycystic kidney disease protein	0.0021	0.007	0.007
Trichomonas vaginalis	cdc25b, putative	0.012	0.3242	0.3391
Treponema pallidum	ATP-dependent RNA helicase	0.0124	0.3368	1
Schistosoma mansoni	polycystin 1-related	0.0021	0.007	0.0098
Trichomonas vaginalis	beta lactamase domain, putative	0.0034	0.0482	0.0347
Echinococcus multilocularis	ETHE1 protein	0.0034	0.0482	0.0482
Trichomonas vaginalis	beta lactamase domain, putative	0.0034	0.0482	0.0347
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.012	0.3242	0.3391
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0034	0.0482	0.0482
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0127	0.3476	0.3476
Loa Loa (eye worm)	heterochromatin protein 1	0.0078	0.1893	0.205
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.012	0.3242	0.3391
Loa Loa (eye worm)	hypothetical protein	0.012	0.3242	0.351
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0124	0.3368	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0963	0.1043
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.585	0.6265
Brugia malayi	MH2 domain containing protein	0.0262	0.7834	0.8469
Schistosoma mansoni	tar DNA-binding protein	0.0208	0.6097	0.8526
Schistosoma mansoni	lipoxygenase	0.0127	0.3476	0.4861
Trichomonas vaginalis	beta lactamase domain, putative	0.0034	0.0482	0.0347
Echinococcus granulosus	ETHE1 protein	0.0034	0.0482	0.0482
Echinococcus granulosus	RUN	0.0021	0.007	0.007
Onchocerca volvulus		0.012	0.3242	0.5489
Brugia malayi	PHD-finger family protein	0.0031	0.0394	0.0353
Mycobacterium ulcerans	lipoprotein LpqF	0.0071	0.1667	0.3243
Trichomonas vaginalis	glucosylceramidase, putative	0.0211	0.6198	0.6649
Onchocerca volvulus		0.012	0.3242	0.5489
Entamoeba histolytica	alkyl sulfatase, putative	0.0034	0.0482	0.0984
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0482	0.0347
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0061	0.134	0.134
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.1174	0.1205
Entamoeba histolytica	hypothetical protein, conserved	0.0034	0.0482	0.0984
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0034	0.0482	0.1282
Echinococcus multilocularis	tumor protein p63	0.0329	1	1
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0034	0.0482	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0792	0.0857
Echinococcus granulosus	geminin	0.0168	0.4804	0.4804
Trypanosoma brucei	beta lactamase	0.0071	0.1667	0.4688
Onchocerca volvulus		0.0034	0.0488	0.0723
Schistosoma mansoni	chromobox protein	0.0078	0.1893	0.2648
Onchocerca volvulus		0.0034	0.0482	0.0712
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0124	0.3368	1
Schistosoma mansoni	hypothetical protein	0.0168	0.4804	0.6718
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0034	0.0482	0.0482
Leishmania major	eukaryotic initiation factor 4a, putative	0.0124	0.3368	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0482	0.0347
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.585	0.6265
Trichomonas vaginalis	glucosylceramidase, putative	0.0306	0.9237	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0024	0.0167	0.0233
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0198	0.0198
Schistosoma mansoni	tar DNA-binding protein	0.0208	0.6097	0.8526
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0061	0.134	0.1385
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0071	0.1667	0.3243
Trypanosoma brucei	glyoxalase II	0.0034	0.0482	0.0984
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0034	0.0482	0.0347
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0034	0.0482	0.0449
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0118	0.0127
Schistosoma mansoni	loxhd1	0.0021	0.007	0.0098
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.012	0.3242	0.3242
Plasmodium vivax	hydroxyacyl glutathione hydrolase, putative	0.0034	0.0482	0.1248
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0124	0.3368	0.7893
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0061	0.134	0.1874
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.585	0.6265
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0124	0.3368	0.3368
Onchocerca volvulus	Putative hydrolase PNKD	0.0034	0.0482	0.0712
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.094	0.1314
Entamoeba histolytica	rodhanase-like domain containing protein	0.012	0.3242	0.9608
Echinococcus multilocularis	hydroxyacylglutathione hydrolase	0.0034	0.0482	0.0482
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0034	0.0482	0.0984
Onchocerca volvulus		0.0034	0.0482	0.0712
Brugia malayi	hypothetical protein	0.0034	0.0482	0.0449
Plasmodium vivax	unspecified product	0.0034	0.0482	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0482	0.0521
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0241	0.7164	0.7756
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0608	0.0438
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0137	0.3791	0.3791
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0482	0.0347
Brugia malayi	chromobox protein homolog 3	0.0044	0.0792	0.0787
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0608	0.1379
Schistosoma mansoni	hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II)	0.0034	0.0482	0.0674
Loa Loa (eye worm)	hypothetical protein	0.011	0.2941	0.3184
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0482	0.0347
Trypanosoma brucei	cleavage and polyadenylation specificity factor subunit, putative	0.0034	0.0482	0.0984
Echinococcus multilocularis	chromobox protein 1	0.0078	0.1893	0.1893
Schistosoma mansoni	zinc phosphodiesterase	0.0034	0.0482	0.0674
Trypanosoma brucei	hydroxyacylglutathione hydrolase, putative	0.0034	0.0482	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0021	0.007	0.0076
Entamoeba histolytica	type A flavoprotein, putative	0.0034	0.0482	0.0984
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0034	0.0482	0.0449
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.007	0.007
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.585	0.6265
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0061	0.134	0.134
Schistosoma mansoni	tar DNA-binding protein	0.0208	0.6097	0.8526
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0241	0.7151	0.7151
Entamoeba histolytica	rodhanase-like domain containing protein	0.012	0.3242	0.9608
Schistosoma mansoni	hypothetical protein	0.0038	0.0609	0.0851
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.012	0.3242	0.3391
Trypanosoma cruzi	glyoxalase II	0.0034	0.0482	0.1282
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0124	0.3368	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0241	0.7151	0.7151
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0306	0.9237	1
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.012	0.3242	0.3391
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0124	0.3368	0.3529
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.0679	0.0679
Brugia malayi	ethe1-prov protein	0.0034	0.0482	0.0449
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.1893	0.1904
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.007	0.007
Trichomonas vaginalis	A-type flavoprotein	0.0034	0.0482	0.0347
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0124	0.3368	0.3529
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.585	0.6265
Leishmania major	eukaryotic initiation factor 4a, putative	0.0124	0.3368	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0609	0.0659
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0124	0.3368	0.471
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1032	0.1117
Echinococcus granulosus	hydroxyacylglutathione hydrolase	0.0034	0.0482	0.0482
Echinococcus multilocularis	muscleblind protein	0.0158	0.4474	0.4474
Schistosoma mansoni	zinc phosphodiesterase	0.0034	0.0482	0.0674
Brugia malayi	Heterochromatin protein 1	0.0078	0.1893	0.1989
Brugia malayi	eukaryotic initiation factor 4A	0.0124	0.3368	0.3597
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0124	0.3368	0.3368
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0024	0.0167	0.0105
Echinococcus granulosus	chromobox protein 1	0.0078	0.1893	0.1893
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4474	0.4843
Schistosoma mansoni	tar DNA-binding protein	0.0208	0.6097	0.8526
Loa Loa (eye worm)	transcription factor SMAD2	0.0262	0.7834	0.8481
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0118	0.0052
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0241	0.7151	0.7741
Echinococcus granulosus	chromobox protein 1	0.0078	0.1893	0.1893
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0124	0.3368	1
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0034	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1931	0.2091
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0124	0.3368	0.5706
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.012	0.3242	0.3242
Echinococcus multilocularis	tar DNA binding protein	0.0208	0.6097	0.6097
Schistosoma mansoni	bromodomain containing protein	0.0074	0.1775	0.2482
Loa Loa (eye worm)	hypothetical protein	0.011	0.2941	0.3184
Echinococcus multilocularis	zinc finger protein	0.0025	0.0202	0.0202
Schistosoma mansoni	hypothetical protein	0.0034	0.0482	0.0674
Trypanosoma cruzi	glyoxalase II	0.0034	0.0482	0.1282
Onchocerca volvulus	Hydroxyacylglutathione hydrolase, mitochondrial homolog	0.0034	0.0482	0.0712
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0792	0.0689
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0198	0.0276
Onchocerca volvulus		0.012	0.3242	0.5489
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.0679	0.0679
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0124	0.3368	0.3368
Trypanosoma brucei	metallo-beta-lactamase-like protein, putative	0.0034	0.0482	0.0984
Loa Loa (eye worm)	metallo-beta-lactamase superfamily protein	0.0034	0.0482	0.0521
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.0804	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0482	0.0521
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0482	0.0347
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0034	0.0482	0.0347
Echinococcus multilocularis	zinc phosphodiesterase	0.0034	0.0482	0.0482
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase cytoplasmic	0.0034	0.0482	0.0521
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0241	0.7151	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0061	0.134	0.2348
Brugia malayi	RNA binding protein	0.0208	0.6097	0.6574
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.0804	0.1992
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.0804	0.1992
Trichomonas vaginalis	beta lactamase domain, putative	0.0034	0.0482	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0488	0.0528
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase	0.0034	0.0482	0.0521
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.1893	0.1904
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0381	0.0237
Echinococcus granulosus	zinc finger protein	0.0025	0.0202	0.0202
Trichomonas vaginalis	glucosylceramidase, putative	0.0306	0.9237	1
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0124	0.3368	1
Trichomonas vaginalis	cdc25c, putative	0.012	0.3242	0.3391
Wolbachia endosymbiont of Brugia malayi	metallo-beta-lactamase superfamily hydrolase	0.0034	0.0482	0.5
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.0792	0.1249
Schistosoma mansoni	chromobox protein	0.0078	0.1893	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0767	0.083
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.0804	0.0703
Schistosoma mansoni	rab6-interacting	0.0021	0.007	0.0098
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.0898	0.0807
Echinococcus granulosus	tar DNA binding protein	0.0208	0.6097	0.6097
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.0804	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1174	0.1271
Echinococcus multilocularis	muscleblind protein 1	0.0158	0.4474	0.4474
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.012	0.3242	0.3391
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0143	0.4003	0.4003
Schistosoma mansoni	tar DNA-binding protein	0.0208	0.6097	0.8526
Brugia malayi	Bromodomain containing protein	0.0087	0.2196	0.2319
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0147	0.4138	1
Echinococcus multilocularis	RUN	0.0021	0.007	0.007
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0898	0.1433
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.007	0.1646	0.1646
Loa Loa (eye worm)	MH2 domain-containing protein	0.0262	0.7834	0.8481
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0071	0.1667	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0306	0.9237	1
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0034	0.0482	0.0984
Trichomonas vaginalis	glucosylceramidase, putative	0.0306	0.9237	1
Entamoeba histolytica	type A flavoprotein, putative	0.0034	0.0482	0.0984
Trichomonas vaginalis	beta lactamase domain, putative	0.0034	0.0482	0.0347
Schistosoma mansoni	hypothetical protein	0.0034	0.0482	0.0674
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.0898	0.0807
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.585	0.6265
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0143	0.4003	0.5598
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0482	0.0521
Entamoeba histolytica	rodhanase-like domain containing protein	0.012	0.3242	0.9608
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0241	0.7151	0.7724
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0034	0.0482	0.1282
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0241	0.7151	1
Onchocerca volvulus		0.012	0.3242	0.5489
Brugia malayi	Rhodanese-like domain containing protein	0.012	0.3242	0.346
Loa Loa (eye worm)	doublecortin family protein	0.0021	0.007	0.0076
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0124	0.3368	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0211	0.6198	0.6649
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0061	0.134	0.2974
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0609	0.0588
Toxoplasma gondii	hydroxyacylglutathione hydrolase	0.0034	0.0482	0.0984
Brugia malayi	TAR-binding protein	0.0208	0.6097	0.6574
Plasmodium falciparum	cytosolic glyoxalase II	0.0034	0.0482	0.1248
Loa Loa (eye worm)	bromodomain containing protein	0.0023	0.0133	0.0144
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0124	0.3368	1
Schistosoma mansoni	rab6-interacting	0.0021	0.007	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0057	0.0062
Brugia malayi	RNA recognition motif domain containing protein	0.0208	0.6097	0.6574
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0127	0.3476	0.3476
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0061	0.134	0.2348
Loa Loa (eye worm)	hypothetical protein	0.0048	0.094	0.1017
Loa Loa (eye worm)	hypothetical protein	0.0124	0.3368	0.3646
Toxoplasma gondii	metallo-beta-lactamase domain-containing protein	0.0034	0.0482	0.0984
Chlamydia trachomatis	ribonuclease Z	0.0034	0.0482	0.5
Brugia malayi	Bromodomain containing protein	0.0046	0.0876	0.0879
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0241	0.7151	0.7151
Echinococcus granulosus	serine protein kinase ATM	0.0024	0.0167	0.0167
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0124	0.3368	0.3368
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0034	0.0482	0.1282
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0034	0.0482	0.1282
Entamoeba histolytica	alkyl sulfatase, putative	0.0034	0.0482	0.0984
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.1174	0.1271
Schistosoma mansoni	zinc finger protein	0.0025	0.0202	0.0282
Plasmodium vivax	RNA helicase-1, putative	0.0124	0.3368	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.1174	0.1205
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0792	0.0689
Brugia malayi	Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site.	0.0034	0.0482	0.0449
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0208	0.6097	0.66
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.1209	0.1308
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0381	0.0237
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.585	0.6265
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4474	0.4843
Echinococcus granulosus	muscleblind protein	0.0158	0.4474	0.4474
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0024	0.0167	0.033
Onchocerca volvulus		0.0048	0.094	0.1505

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 0.06 ug ml-1	In vitro minimum inhibitory concentration against Enterococcus faecalis ATCC 29212.	ChEMBL.	8289194
MIC (functional)	= 0.12 ug ml-1	In vitro minimum inhibitory concentration against S. aureus UBMS 90-3 (sensitive).	ChEMBL.	8289194
MIC (functional)	= 0.25 ug ml-1	In vitro minimum inhibitory concentration against S. aureus smith (sensitive).	ChEMBL.	8289194
MIC (functional)	= 0.5 ug ml-1	In vitro minimum inhibitory concentration against E. coli J3272 (tet D efflux).	ChEMBL.	8289194
MIC (functional)	= 0.5 ug ml-1	In vitro minimum inhibitory concentration against S. aureus UBMS 90-1 (tet M ribosomal protection).	ChEMBL.	8289194
MIC (functional)	= 1 ug ml-1	In vitro minimum inhibitory concentration against E. coli UBMS 88-1 (tet B efflux).	ChEMBL.	8289194
MIC (functional)	= 1 ug ml-1	In vitro minimum inhibitory concentration against E. coli UBMS 90-4 (tet M ribosomal protection).	ChEMBL.	8289194
MIC (functional)	= 2 ug ml-1	In vitro minimum inhibitory concentration against E. coli UBMS 90-5 (sensitive).	ChEMBL.	8289194
MIC (functional)	= 4 ug ml-1	In vitro minimum inhibitory concentration against E. coli J3272 (tet C efflux).	ChEMBL.	8289194
MIC (functional)	= 4 ug ml-1	In vitro minimum inhibitory concentration against S. aureus UBMS 88-7 (tet K efflux).	ChEMBL.	8289194
MIC (functional)	= 8 ug ml-1	In vitro minimum inhibitory concentration against E. coli PRP-1 (tet A efflux).	ChEMBL.	8289194

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: 184817

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 80130