TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 483.3 | Formula: C19H22IN3O4
H donors: 0 H acceptors: 2 LogP: 3.67 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCOc1ccc2n(n1)c(I)c(n2)c1ccc(c(c1)OC)OCCOC
InChi: 1S/C19H22IN3O4/c1-4-9-27-17-8-7-16-21-18(19(20)23(16)22-17)13-5-6-14(15(12-13)25-3)26-11-10-24-2/h5-8,12H,4,9-11H2,1-3H3
InChiKey: GEHNWIQWHMJVJS-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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.2418	0.6344
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0561	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0561	0.0853
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0561	0.0963
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0561	0.0561
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.2418	0.2418
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0561	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0561	0.0853
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0561	0.1344
Brugia malayi	TAR-binding protein	0.0073	0.3654	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.24	0.7098
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3654	0.3654
Onchocerca volvulus		0.0017	0.0273	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0561	0.1344
Brugia malayi	RNA binding protein	0.0073	0.3654	1
Leishmania major	hypothetical protein, conserved	0.0029	0.0976	0.2347
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0404	0.0404
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0273	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0561	0.1344
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0404	0.4555
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0273	0.0273
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0404	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0561	0.0963
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0561	0.0561
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0561	0.1344
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.2418	0.2418
Onchocerca volvulus		0.0017	0.0273	0.5
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0061	0.2917	0.8824
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0561	0.1344
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0404	0.0842
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0561	0.1344
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0561	0.0853
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0976	0.267
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0976	0.208
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.327	1
Echinococcus granulosus	tar DNA binding protein	0.0073	0.3654	0.3654
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0561	1
Schistosoma mansoni	hypothetical protein	0.0176	1	1
Brugia malayi	hypothetical protein	0.0029	0.0976	0.208
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0561	0.1344
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0976	1
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0561	0.0561
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0273	0.0273
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0561	0.0963
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3654	0.3654
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.327	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0561	0.1344
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0561	0.0561
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0976	0.2347
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0404	0.0438
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0976	1
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0404	0.4555
Trypanosoma cruzi	cruzipain precursor, putative	0.0066	0.327	1
Onchocerca volvulus		0.0017	0.0273	0.5
Leishmania major	DNA polymerase eta, putative	0.0022	0.0561	0.0963
Loa Loa (eye worm)	RNA binding protein	0.0073	0.3654	1
Echinococcus multilocularis	cysteine protease	0.0017	0.0273	0.0273
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0561	0.0561
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.2418	0.2418
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0561	0.0561
Trypanosoma brucei	unspecified product	0.0022	0.0561	0.1344
Brugia malayi	RNA recognition motif domain containing protein	0.0073	0.3654	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0561	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0561	0.0963
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0404	0.0389
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0404	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0404	0.0404
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0404	0.0438
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0273	0.0273
Echinococcus multilocularis	cysteine protease	0.0017	0.0273	0.0273
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0273	0.0273
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0561	0.1344
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0561	0.0853
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0561	0.1344
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0273	0.0273
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.2418	0.2418
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0273	0.5
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0404	0.1868
Leishmania major	cathepsin L-like protease	0.0066	0.327	1
Brugia malayi	hypothetical protein	0.0019	0.0349	0.0225
Echinococcus granulosus	cathepsin l1	0.0017	0.0273	0.0273
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0976	1
Schistosoma mansoni	ap endonuclease	0.002	0.0404	0.0404
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0404	0.0389
Onchocerca volvulus		0.0017	0.0273	0.5
Onchocerca volvulus		0.0017	0.0273	0.5
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0404	0.4555
Echinococcus multilocularis	geminin	0.0176	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.2418	0.2418
Leishmania major	cathepsin L-like protease	0.0066	0.327	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.327	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3654	0.3654
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0404	0.0438
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0561	0.0561
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3654	0.3654
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0976	0.2347
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0976	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0561	0.0963
Loa Loa (eye worm)	TAR-binding protein	0.0073	0.3654	1
Echinococcus granulosus	dna polymerase eta	0.0022	0.0561	0.0561
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0561	0.1344
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0022	0.0561	1
Toxoplasma gondii	exonuclease III APE	0.002	0.0404	0.1868
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Schistosoma mansoni	ap endonuclease	0.002	0.0404	0.0404
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0073	0.3654	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.2418	0.6344
Leishmania major	cathepsin L-like protease	0.0066	0.327	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.2418	0.2418
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0273	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0073	0.3654	0.3654
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0561	0.1344
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0561	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0561	0.0963
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0561	0.0963
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0561	1
Onchocerca volvulus		0.0017	0.0273	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0273	0.0273
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0273	0.0273
Onchocerca volvulus		0.0017	0.0273	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.327	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.2418	0.2418
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3654	0.3654
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0561	0.1344
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0404	0.1868
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.0561	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0561	0.1344
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0273	0.0273
Schistosoma mansoni	hypothetical protein	0.0176	1	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0561	0.0561

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: CHEMBL1796604

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 998815