TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 437.271 | Formula: C19H20INO3
H donors: 1 H acceptors: 2 LogP: 4.99 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCCOC(=O)c1ccc(cc1)N=Cc1cc(C)cc(c1O)I
InChi: 1S/C19H20INO3/c1-3-4-9-24-19(23)14-5-7-16(8-6-14)21-12-15-10-13(2)11-17(20)18(15)22/h5-8,10-12,22H,3-4,9H2,1-2H3/b21-12+
InChiKey: AWEAVGBQCWAPLK-CIAFOILYSA-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	beta-lactamase	0.0035	0.0368	0.1061
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.042	0.042
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0551	0.1589
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0459	0.1324
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.056	0.1614
Brugia malayi	beta-lactamase family protein	0.0035	0.0368	0.1061
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0368	0.0368
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0288	0.4103	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0276	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0375
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0343	0.0343
Schistosoma mansoni	hypothetical protein	0.0048	0.056	0.056
Echinococcus multilocularis	microtubule associated protein 2	0.0687	1	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0276	0.0276
Loa Loa (eye worm)	glutathione reductase	0.0038	0.0407	0.1173
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0095	0.1261	0.3
Schistosoma mansoni	hypothetical protein	0.0169	0.2343	0.2343
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0086	0.1119	0.2651
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0343	0.099
Echinococcus granulosus	geminin	0.0169	0.2343	0.2343
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.042	0.042
Brugia malayi	Bromodomain containing protein	0.0082	0.1064	0.307
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0414	0.0414
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.1408	0.406
Schistosoma mansoni	cpg binding protein	0.0032	0.033	0.033
Schistosoma mansoni	hypothetical protein	0.0169	0.2343	0.2343
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0086	0.1119	0.2651
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0258	0.0745
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0086	0.1119	0.2012
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0368	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0093	0.0093
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0121	0.0121
Plasmodium falciparum	thioredoxin reductase	0.0038	0.0407	0.0896
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0368	0.1061
Echinococcus multilocularis	zinc finger protein	0.0023	0.0185	0.0185
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0097	0.129	0.372
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0368	0.1061
Entamoeba histolytica	hypothetical protein	0.0037	0.0397	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0368	0.08
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0368	0.08
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0097	0.129	0.372
Brugia malayi	glutathione reductase	0.0038	0.0407	0.1173
Trypanosoma brucei	trypanothione reductase	0.0038	0.0407	1
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0276	0.0795
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0368	0.0368
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0368	0.08
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0013	0.0043	0.0043
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0368	0.8931
Onchocerca volvulus		0.0035	0.0368	0.1061
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0368	0.08
Brugia malayi	hypothetical protein	0.0245	0.3467	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0258	0.5923
Loa Loa (eye worm)	hypothetical protein	0.0235	0.3328	0.9599
Schistosoma mansoni	microtubule-associated protein tau	0.0687	1	1
Treponema pallidum	hypothetical protein	0.0288	0.4103	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0497	0.1432
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0258	0.053
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0288	0.4103	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0368	0.0368
Echinococcus multilocularis	cpg binding protein	0.0032	0.033	0.033
Onchocerca volvulus		0.0048	0.056	0.1614
Leishmania major	hypothetical protein, conserved	0.0028	0.0258	0.5923
Entamoeba histolytica	hypothetical protein	0.0037	0.0397	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.129	0.129
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0026	0.0232	0.0232
Entamoeba histolytica	hypothetical protein	0.0037	0.0397	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.129	0.129
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.1408	0.406
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0288	0.4103	1
Mycobacterium tuberculosis	Probable reductase	0.0086	0.1119	0.2651
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0288	0.4103	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0086	0.1119	0.2651
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0095	0.1261	0.3
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0397	0.0397
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0018	0.0121	0.0121
Brugia malayi	Bromodomain containing protein	0.0041	0.0458	0.132
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0368	0.08
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0013	0.0043	0.0124
Leishmania major	hypothetical protein, conserved	0.0035	0.0368	0.8931
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.129	0.129
Onchocerca volvulus	Huntingtin homolog	0.0245	0.3467	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.3156	0.7669
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0258	0.3308
Echinococcus multilocularis	geminin	0.0169	0.2343	0.2343
Onchocerca volvulus		0.0029	0.0276	0.0795
Entamoeba histolytica	hypothetical protein	0.0037	0.0397	0.5
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0368	0.08
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0915	0.2639
Trypanosoma cruzi	trypanothione reductase, putative	0.0038	0.0407	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0013	0.0043	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0368	0.0368
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0368	0.08
Echinococcus granulosus	fetal alzheimer antigen falz	0.0026	0.0232	0.0232
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0019	0.013	0.013
Brugia malayi	PHD-finger family protein	0.0028	0.027	0.0778
Brugia malayi	hypothetical protein	0.0028	0.0258	0.0745
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0915	0.2639
Trypanosoma cruzi	ISWI complex protein	0.0016	0.0093	0.1373
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1408	0.406
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0368	0.8931
Trypanosoma brucei	ISWI complex protein	0.0016	0.0093	0.1373
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0013	0.0043	0.5
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0121	0.0121
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0178	0.0512
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0368	0.8931
Loa Loa (eye worm)	hypothetical protein	0.0245	0.3467	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0258	0.053
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0086	0.1119	0.2651
Onchocerca volvulus		0.0035	0.0368	0.1061
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0368	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0397	0.0397
Echinococcus granulosus	cpg binding protein	0.0032	0.033	0.033
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0368	0.1061
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0343	0.099
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.1261	0.3
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0368	0.08
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0066	0.0822	0.0822
Schistosoma mansoni	hypothetical protein	0.0037	0.0397	0.0397
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0343	0.0343
Plasmodium vivax	thioredoxin reductase, putative	0.0038	0.0407	0.0896
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0258	0.5923
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.129	0.129
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0368	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0013	0.0043	0.5
Brugia malayi	hypothetical protein	0.0018	0.0114	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0368	0.1061
Onchocerca volvulus	Huntingtin homolog	0.0245	0.3467	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.0368	0.4988
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0368	0.08
Schistosoma mansoni	cpg binding protein	0.0032	0.033	0.033
Brugia malayi	Thioredoxin reductase	0.0038	0.0407	0.1173
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0343	0.0343
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0033	0.0033
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.013	0.013
Loa Loa (eye worm)	bromodomain containing protein	0.0019	0.0131	0.0376
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.0694	1
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0343	0.0343
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0368	0.08
Trypanosoma cruzi	ISWI complex protein	0.0016	0.0093	0.1373
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0011	0.003
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.013	0.013
Loa Loa (eye worm)	thioredoxin reductase	0.0038	0.0407	0.1173
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0013	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0022	0.0178	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0245	0.3467	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.0368	0.08
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0397	0.0397
Schistosoma mansoni	survival motor neuron protein	0.0048	0.056	0.056
Trichomonas vaginalis	esterase, putative	0.0035	0.0368	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.129	0.129
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.1408	0.406
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0368	0.08
Echinococcus granulosus	survival motor neuron protein 1	0.0235	0.3328	0.3328
Brugia malayi	beta-lactamase family protein	0.0035	0.0368	0.1061
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0368	0.1061
Onchocerca volvulus		0.0035	0.0368	0.1061
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	0.3328	0.3328
Schistosoma mansoni	hypothetical protein	0.0072	0.0915	0.0915
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0368	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0368	0.1061
Schistosoma mansoni	zinc finger protein	0.0016	0.0093	0.0093
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.129	0.129
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0033	0.0033
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0026	0.0232	0.0232
Schistosoma mansoni	hypothetical protein	0.0033	0.0343	0.0343
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.0753	0.0753
Echinococcus granulosus	zinc finger protein	0.0023	0.0185	0.0185
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0038	0.0407	0.0896
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0414	0.0414
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0368	0.08
Schistosoma mansoni	hypothetical protein	0.0033	0.0343	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0343	0.099
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0018	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0368	0.1061
Toxoplasma gondii	thioredoxin reductase	0.0038	0.0407	0.5585
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0368	0.08
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0258	0.053
Schistosoma mansoni	zinc finger protein	0.0023	0.0185	0.0185
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0095	0.1261	0.2392
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0368	0.1061
Plasmodium falciparum	glutathione reductase	0.0038	0.0407	0.0896
Schistosoma mansoni	hypothetical protein	0.0033	0.0343	0.0343
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0258	0.5923
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0368	0.08
Leishmania major	hypothetical protein, conserved	0.0016	0.0093	0.1373
Plasmodium vivax	glutathione reductase, putative	0.0038	0.0407	0.0896
Mycobacterium tuberculosis	Probable dehydrogenase	0.0086	0.1119	0.2651
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0343	0.0343
Brugia malayi	hypothetical protein	0.0037	0.0397	0.1145
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.129	0.129
Schistosoma mansoni	hypothetical protein	0.0033	0.0343	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0368	0.1061
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0343	0.099
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0972	0.2804
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0013	0.0043	0.5
Leishmania major	trypanothione reductase	0.0038	0.0407	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0066	0.0822	0.0822
Schistosoma mansoni	hypothetical protein	0.0012	0.0033	0.0033
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0013	0.0043	0.0043
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0368	0.08
Brugia malayi	hypothetical protein	0.0235	0.3328	0.9599
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0288	0.4103	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0368	1
Echinococcus granulosus	GPCR family 2	0.0033	0.0343	0.0343
Echinococcus granulosus	histone lysine methyltransferase setb	0.0019	0.013	0.013
Schistosoma mansoni	bromodomain containing protein	0.007	0.0878	0.0878

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.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 784723