TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 418.271 | Formula: C19H19IN2O
H donors: 2 H acceptors: 0 LogP: 5.82 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CNc1ccc2c(c1)c1c(cc2C)[nH]c2c1cc(OC)cc2.I
InChi: 1S/C19H18N2O.HI/c1-11-8-18-19(15-9-12(20-2)4-6-14(11)15)16-10-13(22-3)5-7-17(16)21-18;/h4-10,20-21H,1-3H3;1H
InChiKey: PAECLGMJLFAKQT-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
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0212	0.0571
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.019	0.218	0.2178
Schistosoma mansoni	hypothetical protein	0.0293	0.3445	0.9856
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0209	0.9515
Loa Loa (eye worm)	6-phosphofructokinase	0.011	0.1196	0.4923
Leishmania major	ATP-dependent phosphofructokinase	0.011	0.1196	1
Brugia malayi	Protein kinase c protein 2	0.0095	0.1017	0.4185
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.006	0.0166
Echinococcus multilocularis	peregrin	0.0029	0.0209	0.0207
Echinococcus multilocularis	serine threonine protein kinase	0.01	0.1075	0.1072
Echinococcus granulosus	peregrin	0.0029	0.0209	0.061
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.003	0.0212	0.1332
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0062	0.0607	0.25
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0092	0.0089
Onchocerca volvulus	Matrilysin homolog	0.0079	0.0821	0.287
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.006	0.0166
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.0092	0.3053
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0154	0.6411
Schistosoma mansoni	serine/threonine protein kinase	0.0112	0.1225	0.3501
Loa Loa (eye worm)	animal heme peroxidase	0.0083	0.0863	0.3554
Mycobacterium ulcerans	hydrolase	0.0097	0.1033	0.8636
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0032	0.0242	0.0998
Loa Loa (eye worm)	hypothetical protein	0.002	0.0092	0.0379
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0017	0.006	0.0249
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0289	0.3386	0.3385
Onchocerca volvulus	Matrilysin homolog	0.0176	0.2006	0.717
Brugia malayi	hypothetical protein	0.0016	0.0045	0.0186
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.1032	0.103
Brugia malayi	hypothetical protein	0.0083	0.0863	0.3554
Onchocerca volvulus		0.0048	0.0439	0.1487
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.1298	0.5344
Echinococcus multilocularis	protein kinase c iota type	0.003	0.0211	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0154	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0017	0.006	0.0249
Loa Loa (eye worm)	6-phosphofructokinase	0.011	0.1196	0.4923
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0209	0.0591
Echinococcus granulosus	protein kinase C gamma type	0.01	0.1075	0.3168
Echinococcus multilocularis	unc 13 (munc13)	0.0015	0.0029	0.0027
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0218	1
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.003	0.0212	1
Brugia malayi	Peroxidasin	0.0083	0.0863	0.3554
Onchocerca volvulus		0.0113	0.1228	0.4346
Onchocerca volvulus		0.0083	0.0863	0.3025
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0212	0.0571
Brugia malayi	6-phosphofructokinase	0.011	0.1196	0.4923
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0017	0.006	0.0256
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0204	0.0595
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0403	0.1147
Brugia malayi	Pre-SET motif family protein	0.003	0.0218	0.0896
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.1032	0.3042
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Onchocerca volvulus		0.003	0.0218	0.0683
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.0559	0.4675
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.0439	0.125
Schistosoma mansoni	lipoxygenase	0.0056	0.0532	0.1516
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0731	0.2085
Schistosoma mansoni	rab6-interacting	0.002	0.0092	0.0256
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.0092	0.2949
Brugia malayi	Protein kinase domain containing protein	0.0017	0.006	0.0249
Loa Loa (eye worm)	hypothetical protein	0.003	0.0218	0.0896
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0285	0.0809
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0056	0.0532	0.1565
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0821	0.3378
Echinococcus granulosus	Protein kinase C brain isozyme	0.0112	0.1225	0.3614
Brugia malayi	Doublecortin family protein	0.002	0.0092	0.0379
Toxoplasma gondii	6-phosphofructokinase	0.003	0.0212	0.9662
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Schistosoma mansoni	polycystin 1-related	0.002	0.0092	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Brugia malayi	Protein kinase domain containing protein	0.0017	0.006	0.0249
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0176	0.2006	0.717
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0731	0.0729
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0058	0.0559	0.0557
Loa Loa (eye worm)	blistered cuticle protein 3	0.0083	0.0863	0.3554
Toxoplasma gondii	phosphofructokinase PFKII	0.003	0.0212	0.9662
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0403	0.0401
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0083	0.0866	0.3565
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0218	0.0215
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0154	0.6635
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0289	0.3386	1
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0212	0.0571
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0017	0.006	0.0249
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0013	0.0003	0.0011
Brugia malayi	Protein kinase domain containing protein	0.0017	0.006	0.0249
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Brugia malayi	Bromodomain containing protein	0.0029	0.0209	0.0861
Echinococcus multilocularis	RUN	0.002	0.0092	0.0089
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0521	0.2145
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0209	0.9515
Echinococcus granulosus	dnaJ subfamily C 6	0.0062	0.0607	0.1787
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0218	0.0636
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0039	0.033
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0017	0.006	0.0171
Schistosoma mansoni	unc-13 (munc13)	0.0015	0.0029	0.0076
Trichomonas vaginalis	set domain proteins, putative	0.024	0.2786	1
Echinococcus multilocularis	dnaJ subfamily C 6	0.0062	0.0607	0.0605
Entamoeba histolytica	hypothetical protein	0.0072	0.0731	0.5905
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.011	0.1196	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Brugia malayi	hypothetical protein	0.002	0.0092	0.0379
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0521	0.0519
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0211	0.243	1
Brugia malayi	PHD-finger family protein	0.0029	0.0209	0.0861
Brugia malayi	Animal haem peroxidase family protein	0.0083	0.0863	0.3554
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0154	0.065
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0092	0.0264
Brugia malayi	C1-like domain containing protein	0.0013	0.0003	0.0011
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.0559	0.4675
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0017	0.006	0.0249
Echinococcus granulosus	RUN	0.002	0.0092	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Echinococcus granulosus	peroxidasin	0.0083	0.0863	0.2544
Loa Loa (eye worm)	hypothetical protein	0.002	0.0092	0.0379
Onchocerca volvulus		0.0083	0.0863	0.3025
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0039	0.0037
Brugia malayi	Matrixin family protein	0.0079	0.0821	0.3378
Brugia malayi	Hemopexin family protein	0.0113	0.1228	0.5052
Trichomonas vaginalis	protein kinase inhibitor, putative	0.0062	0.0607	0.202
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0039	0.0162
Echinococcus granulosus	protein kinase c epsilon type	0.0032	0.0242	0.0709
Schistosoma mansoni	loxhd1	0.002	0.0092	0.0256
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0403	0.1184
Brugia malayi	jmjC domain containing protein	0.0097	0.1032	0.4248
Onchocerca volvulus	Dual oxidase homolog	0.0083	0.0863	0.3025
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.008	0.083	0.0828
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0039	0.0167
Echinococcus granulosus	protein kinase c iota type	0.003	0.0211	0.0616
Brugia malayi	Blistered cuticle protein 3	0.0083	0.0863	0.3554
Echinococcus granulosus	RNA directed DNA polymerase	0.008	0.083	0.2446
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.003	0.0212	1
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.1196	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0029	0.0121
Brugia malayi	DnaJ domain containing protein	0.0062	0.0607	0.25
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Onchocerca volvulus	Alhambra homolog	0.0029	0.0209	0.0652
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0017	0.006	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0285	0.1174
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0039	0.0037
Brugia malayi	protein kinase C3,putative	0.0013	0.0003	0.0011
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0039	0.0037
Onchocerca volvulus		0.002	0.0092	0.0227
Schistosoma mansoni	peroxidasin	0.0083	0.0863	0.2464
Brugia malayi	phosphofructokinase	0.011	0.1196	0.4923
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0017	0.006	0.0058
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0084	0.0875	0.2497
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0112	0.1225	0.1223
Plasmodium vivax	6-phosphofructokinase, putative	0.003	0.0212	0.9662
Schistosoma mansoni	hypothetical protein	0.0062	0.0607	0.1731
Brugia malayi	Matrixin family protein	0.0079	0.0821	0.3378
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.006	0.0166
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.1196	0.4176
Entamoeba histolytica	hypothetical protein	0.0072	0.0731	0.5905
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Schistosoma mansoni	6-phosphofructokinase	0.011	0.1196	0.3417
Schistosoma mansoni	serine/threonine kinase	0.0017	0.006	0.0166
Brugia malayi	hypothetical protein	0.002	0.0092	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0981	0.4038
Echinococcus granulosus	geminin	0.0168	0.1907	0.5628
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0212	0.0571
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0209	0.9847
Brugia malayi	Matrixin family protein	0.0079	0.0821	0.3378
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Schistosoma mansoni	hypothetical protein	0.0072	0.0731	0.2085
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0039	0.033
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0039	0.033
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0017	0.006	0.0058
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0039	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0521	0.2145
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0731	0.2153
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0039	0.0162
Echinococcus multilocularis	geminin	0.0168	0.1907	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0209	0.0207
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0039	0.0037
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0092	0.0264
Brugia malayi	Animal haem peroxidase family protein	0.0083	0.0863	0.3554
Brugia malayi	MH2 domain containing protein	0.0118	0.1298	0.5344
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0092	0.0089
Brugia malayi	Hr1 repeat family protein	0.0017	0.006	0.0249
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Schistosoma mansoni	peroxidasin	0.0083	0.0863	0.2464
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0015	0.0029	0.0027
Toxoplasma gondii	AGC kinase	0.0017	0.006	0.1182
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0521	0.1532
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0092	0.0379
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0403	0.166
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0017	0.006	0.0058
Schistosoma mansoni	protein kinase C	0.0015	0.0029	0.0076
Loa Loa (eye worm)	phosphofructokinase	0.011	0.1196	0.4923
Loa Loa (eye worm)	matrix metalloproteinase	0.0079	0.0821	0.3378
Schistosoma mansoni	hypothetical protein	0.0113	0.1228	0.3507
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0017	0.006	0.0058
Schistosoma mansoni	atypical protein kinase C	0.003	0.0211	0.0597
Schistosoma mansoni	lipoxygenase	0.002	0.0092	0.0256
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.006	0.0166
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0092	0.0264
Brugia malayi	Matrixin family protein	0.0079	0.0821	0.3378
Entamoeba histolytica	hypothetical protein	0.0072	0.0731	0.5905
Echinococcus multilocularis	conserved hypothetical protein	0.0296	0.3472	0.347
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0017	0.006	0.0171
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.003	0.0212	0.9662
Brugia malayi	Pre-SET motif family protein	0.0211	0.243	1
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0097	0.1033	0.4251
Schistosoma mansoni	hypothetical protein	0.0029	0.0209	0.0591
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1033	0.4251
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.011	0.1196	0.5054
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0039	0.0162
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0218	0.0616
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.0439	0.0437
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0218	0.0616
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0017	0.006	0.0249
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.0439	0.129
Schistosoma mansoni	6-phosphofructokinase	0.011	0.1196	0.3417
Onchocerca volvulus	Peroxidasin homolog	0.0083	0.0863	0.3025
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.011	0.1196	1
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0439	0.125
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0218	0.0215
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0154	0.1285
Schistosoma mansoni	hypothetical protein	0.0205	0.2367	0.6768
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0403	0.0401
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0218	0.0616
Loa Loa (eye worm)	matrixin family protein	0.0192	0.2201	0.9059
Plasmodium vivax	SET domain protein, putative	0.003	0.0218	1
Schistosoma mansoni	unc-13 (munc13)	0.0017	0.0053	0.0143
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0039	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0468	0.1924
Onchocerca volvulus	Peroxidasin homolog	0.0083	0.0863	0.3025
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.011	0.1196	1
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.1196	0.4176
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.0559	0.4494
Brugia malayi	Animal haem peroxidase family protein	0.0083	0.0863	0.3554
Leishmania major	hypothetical protein, conserved	0.0025	0.0154	0.1285
Echinococcus multilocularis	6 phosphofructokinase	0.011	0.1196	0.1194
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.003	0.0212	0.5
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0054	0.0511	0.2104
Loa Loa (eye worm)	animal heme peroxidase	0.0083	0.0863	0.3554
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0092	0.0089
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0285	0.0835
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0079	0.0821	0.2342
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0039	0.0037
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Onchocerca volvulus		0.0079	0.0821	0.287
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0058	0.0559	0.4675
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0058	0.0559	0.1645
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0821	0.3378
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0209	0.9515
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0154	0.6635
Loa Loa (eye worm)	animal heme peroxidase	0.0083	0.0863	0.3554
Onchocerca volvulus	Peroxidase homolog	0.0083	0.0863	0.3025
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.003	0.0212	0.5
Schistosoma mansoni	glucose-6-phosphatase	0.0297	0.3496	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0821	0.3378
Onchocerca volvulus		0.002	0.0092	0.0227
Schistosoma mansoni	hypothetical protein	0.0168	0.1907	0.5452
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0017	0.006	0.0058
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.0789	0.225
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.1196	0.4176
Echinococcus granulosus	unc 13 munc13	0.0015	0.0029	0.0079
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0439	0.125
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0015	0.0029	0.0079
Onchocerca volvulus	Chorion peroxidase homolog	0.0083	0.0863	0.3025
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0013	0.0003	0.0011
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0351	0.0348
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0017	0.006	0.0058
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0521	0.0519
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0285	0.0809
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0212	0.0571
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0058	0.0559	0.2301
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.0439	0.1487
Echinococcus multilocularis	peroxidasin	0.0083	0.0863	0.0861
Onchocerca volvulus		0.024	0.2786	1
Brugia malayi	hypothetical protein	0.0025	0.0154	0.0633
Brugia malayi	hypothetical protein	0.0072	0.0731	0.3009
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0285	0.0283
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0056	0.0532	0.053
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.006	0.0017
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0521	0.1484
Echinococcus multilocularis	RNA directed DNA polymerase	0.008	0.083	0.0828
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.1196	0.4176
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0521	0.1532
Loa Loa (eye worm)	animal heme peroxidase	0.0083	0.0863	0.3554
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0017	0.006	0.0249
Trypanosoma brucei	RNA helicase, putative	0.0205	0.2367	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.1298	0.5344
Echinococcus multilocularis	protein kinase c epsilon type	0.0032	0.0242	0.024
Loa Loa (eye worm)	matrixin family protein	0.0176	0.2006	0.8258
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0403	0.1184
Schistosoma mansoni	hypothetical protein	0.0168	0.1907	0.5452
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.0439	0.129
Brugia malayi	p70 ribosomal S6 kinase beta	0.0017	0.006	0.0249
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0209	0.0861
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0017	0.006	0.0249
Brugia malayi	Animal haem peroxidase family protein	0.0083	0.0863	0.3554
Brugia malayi	Matrixin family protein	0.0192	0.2201	0.9059
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0403	0.166
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0242	0.0687
Brugia malayi	jmjC domain containing protein	0.0036	0.0285	0.1174
Schistosoma mansoni	hypothetical protein	0.002	0.0092	0.0256
Echinococcus multilocularis	conserved hypothetical protein	0.0296	0.3472	0.347
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0403	0.1147
Echinococcus granulosus	NDR protein kinase	0.0017	0.006	0.0171
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.011	0.1196	1
Loa Loa (eye worm)	MBCTL1	0.0055	0.0521	0.2145
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.003	0.0212	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0218	0.0616
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0209	0.061
Brugia malayi	Protein kinase domain containing protein	0.0013	0.0003	0.0011
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0351	0.1029
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0863	0.3554
Onchocerca volvulus		0.0083	0.0863	0.3025
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0212	0.0571
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.1196	1
Brugia malayi	protein kinase C II.	0.0032	0.0242	0.0998
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0017	0.006	0.0171
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0039	0.0167
Schistosoma mansoni	serine/threonine protein kinase	0.0112	0.1225	0.3501
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0439	0.1808
Entamoeba histolytica	hypothetical protein	0.0072	0.0731	0.5905
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0403	0.1147
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0594	0.2446
Echinococcus granulosus	serine:threonine protein kinase N2	0.0017	0.006	0.0171
Schistosoma mansoni	rab6-interacting	0.002	0.0092	0.0256
Plasmodium vivax	6-phosphofructokinase, putative	0.003	0.0212	0.9662
Echinococcus granulosus	6 phosphofructokinase	0.011	0.1196	0.3527
Onchocerca volvulus	Peroxidase homolog	0.0083	0.0863	0.3025
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.1196	1
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0097	0.1033	0.859
Brugia malayi	Animal haem peroxidase family protein	0.0083	0.0863	0.3554
Loa Loa (eye worm)	hypothetical protein	0.008	0.083	0.3418
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0154	0.6411
Trichomonas vaginalis	6-phosphofructokinase, putative	0.003	0.0212	0.0571
Brugia malayi	mbt repeat family protein	0.0048	0.0439	0.1808
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.0439	0.0437
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0013	0.0003	0.0011
Brugia malayi	6-phosphofructokinase	0.011	0.1196	0.4923
Mycobacterium ulcerans	6-phosphofructokinase	0.011	0.1196	1
Brugia malayi	mbt repeat family protein	0.0048	0.0439	0.1808
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.019	0.218	0.6433
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0209	0.0861
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0058	0.0559	0.1593
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.0439	0.1808
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0154	0.1285

Activities

Activity type	Activity value	Assay description	Source	Reference
CE37 (functional)	= 3.71 uM	In vitro inhibition of L1210 (mouse leukaemia) cell cloning efficiency.	ChEMBL.	3669015
CE37 (functional)	= 3.71 uM	In vitro inhibition of L1210 (mouse leukaemia) cell cloning efficiency.	ChEMBL.	3669015
ED50 (functional)	> 2.5 uM	In vitro cellular toxicity against L1210 (mouse leukamia) cells.	ChEMBL.	3669015
ED50 (functional)	> 2.5 uM	In vitro cellular toxicity against L1210 (mouse leukamia) cells.	ChEMBL.	3669015
K (binding)	= 60000 M-1	Binding affinity against calf-thymus DNA at pH 7.4	ChEMBL.	3669015

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 104745