TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 357.573 | Formula: C10H13ClINO3
H donors: 2 H acceptors: 2 LogP: 2.65 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1cc(I)c(c(c1)CN)O.Cl
InChi: 1S/C10H12INO3.ClH/c1-2-15-10(14)6-3-7(5-12)9(13)8(11)4-6;/h3-4,13H,2,5,12H2,1H3;1H
InChiKey: FUEPOVYALUBLNL-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
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0065	0.0065
Echinococcus granulosus	acetylcholinesterase	0.031	0.5921	0.8339
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0293	0.5
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0052	0.0927	0.1228
Brugia malayi	Latrophilin receptor protein 2	0.0052	0.0917	0.1405
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0293	0.5
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0021	0.0317	0.037
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0293	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0927	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0317	0.037
Schistosoma mansoni	ap endonuclease	0.002	0.0293	0.0293
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0164	0.3089	0.5136
Plasmodium falciparum	plasmepsin VIII, putative	0.0021	0.0317	1
Schistosoma mansoni	hypothetical protein	0.0052	0.0917	0.0917
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0293	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0052	0.0927	0.0927
Plasmodium falciparum	plasmepsin I	0.0021	0.0317	1
Brugia malayi	aspartic protease BmAsp-2, identical	0.0021	0.0317	0.0374
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0317	0.0317
Onchocerca volvulus		0.0052	0.0927	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0927	0.1418
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0021	0.0317	0.036
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0021	0.0317	0.3035
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0927	0.1418
Schistosoma mansoni	cpg binding protein	0.0034	0.0561	0.0561
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0052	0.0927	0.0927
Brugia malayi	Pepsin A precursor	0.0021	0.0317	0.0374
Schistosoma mansoni	hypothetical protein	0.0052	0.0917	0.0917
Brugia malayi	Carboxylesterase family protein	0.0052	0.0927	0.1422
Echinococcus multilocularis	acetylcholinesterase	0.031	0.5921	0.8339
Schistosoma mansoni	gliotactin	0.0052	0.0927	0.0927
Plasmodium falciparum	plasmepsin V	0.0021	0.0317	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0927	0.1418
Plasmodium vivax	aspartyl proteinase, putative	0.0021	0.0317	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0052	0.0927	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0052	0.0927	0.1228
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0317	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0927	0.1418
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0293	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0317	0.0317
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0052	0.0927	0.0927
Plasmodium vivax	plasmepsin IV, putative	0.0021	0.0317	1
Brugia malayi	hypothetical protein	0.0052	0.0927	0.1422
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0052	0.0917	0.1214
Echinococcus multilocularis	geminin	0.0371	0.7087	1
Brugia malayi	Carboxylesterase family protein	0.031	0.5921	1
Echinococcus granulosus	neuroligin	0.0052	0.0927	0.1228
Schistosoma mansoni	cpg binding protein	0.0032	0.0526	0.0526
Brugia malayi	hypothetical protein	0.0021	0.0317	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0317	0.037
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0317	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0102	0.0053
Brugia malayi	aspartic protease BmAsp-1, identical	0.0021	0.0317	0.0374
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0526	0.0729
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0317	0.0317
Echinococcus granulosus	para nitrobenzyl esterase	0.0052	0.0927	0.1228
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0021	0.0317	0.031
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0052	0.0927	1
Loa Loa (eye worm)	aspartyl protease 6	0.0021	0.0317	0.037
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0317	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0293	0.5
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0052	0.0927	0.0927
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0293	0.0325
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0526	0.0733
Echinococcus granulosus	BC026374 protein S09 family	0.0052	0.0927	0.1228
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0293	0.2758
Plasmodium vivax	aspartyl proteinase, putative	0.0021	0.0317	1
Schistosoma mansoni	hypothetical protein	0.0052	0.0917	0.0917
Echinococcus granulosus	acetylcholinesterase	0.031	0.5921	0.8339
Plasmodium falciparum	plasmepsin IV	0.0021	0.0317	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0052	0.0927	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2084	0.3406
Echinococcus granulosus	geminin	0.0371	0.7087	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.1215	0.1215
Brugia malayi	Carboxylesterase family protein	0.031	0.5921	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0164	0.3089	0.5136
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0317	0.0317
Onchocerca volvulus		0.0052	0.0927	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0927	0.1418
Toxoplasma gondii	aspartyl protease ASP3	0.0021	0.0317	0.031
Schistosoma mansoni	cathepsin D (A01 family)	0.0021	0.0317	0.0317
Echinococcus multilocularis	neuroligin	0.0052	0.0927	0.1228
Echinococcus multilocularis	acetylcholinesterase	0.031	0.5921	0.8339
Onchocerca volvulus		0.0052	0.0927	1
Loa Loa (eye worm)	carboxylesterase	0.0052	0.0927	0.1418
Plasmodium falciparum	plasmepsin II	0.0021	0.0317	1
Plasmodium falciparum	plasmepsin III	0.0021	0.0317	1
Plasmodium vivax	plasmepsin V, putative	0.0021	0.0317	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0317	0.0317
Brugia malayi	latrophilin 2 splice variant baaae	0.0112	0.2084	0.3409
Brugia malayi	hypothetical protein	0.0021	0.0317	0.0374
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0293	0.0325
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0317	0.0317
Onchocerca volvulus		0.0032	0.0526	0.343
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3089	0.5134
Plasmodium falciparum	plasmepsin VI	0.0021	0.0317	1
Brugia malayi	Carboxylesterase family protein	0.0052	0.0927	0.1422
Echinococcus granulosus	cpg binding protein	0.0034	0.0561	0.0707
Loa Loa (eye worm)	hypothetical protein	0.031	0.5921	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0102	0.0053
Brugia malayi	Carboxylesterase family protein	0.0052	0.0927	0.1422
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0052	0.0927	1
Echinococcus multilocularis	carboxylesterase 5A	0.031	0.5921	0.8339
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0293	0.2758
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0317	0.0317
Schistosoma mansoni	hypothetical protein	0.0371	0.7087	0.7087
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0917	0.1401
Loa Loa (eye worm)	hypothetical protein	0.031	0.5921	1
Plasmodium falciparum	plasmepsin X	0.0021	0.0317	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0052	0.0917	0.1214
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0293	0.0328
Schistosoma mansoni	hypothetical protein	0.0112	0.2084	0.2084
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0317	0.0317
Onchocerca volvulus		0.0052	0.0927	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0293	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0052	0.0917	0.1405
Schistosoma mansoni	cpg binding protein	0.0034	0.0561	0.0561
Loa Loa (eye worm)	carboxylesterase	0.031	0.5921	1
Toxoplasma gondii	aspartyl protease	0.0021	0.0317	0.031
Toxoplasma gondii	aspartyl protease ASP1	0.0021	0.0317	0.031
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0021	0.0317	0.0374
Onchocerca volvulus		0.0052	0.0927	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0052	0.0917	0.1214
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0052	0.0927	0.0927
Schistosoma mansoni	ap endonuclease	0.002	0.0293	0.0293
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0293	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.031	0.5921	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0052	0.0917	0.1401
Schistosoma mansoni	acetylcholinesterase	0.0052	0.0927	0.0927
Plasmodium falciparum	plasmepsin IX	0.0021	0.0317	1
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0317	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0021	0.0317	0.031
Echinococcus multilocularis	GPCR, family 2	0.0052	0.0917	0.1214
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0052	0.0927	0.1228
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.031	0.5921	0.5921
Mycobacterium ulcerans	carboxylesterase, LipT	0.0052	0.0927	1
Plasmodium falciparum	plasmepsin VII	0.0021	0.0317	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0052	0.0927	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.1076	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0052	0.0927	0.1228
Schistosoma mansoni	hypothetical protein	0.0371	0.7087	0.7087
Echinococcus multilocularis	cpg binding protein	0.0034	0.0561	0.0707
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0021	0.0317	0.036
Echinococcus granulosus	GPCR family 2	0.0052	0.0917	0.1214
Schistosoma mansoni	cathepsin D (A01 family)	0.0021	0.0317	0.0317
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0164	0.3089	0.5134
Loa Loa (eye worm)	carboxylesterase	0.0052	0.0927	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0317	0.037
Echinococcus granulosus	carboxylesterase 5A	0.031	0.5921	0.8339
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0052	0.0917	0.1214
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0927	0.1418
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0293	0.5
Brugia malayi	Carboxylesterase family protein	0.0052	0.0927	0.1422
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0021	0.0317	0.037
Schistosoma mansoni	hypothetical protein	0.0052	0.0917	0.0917

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

ChEMBL: CHEMBL552653

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1046109