TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 430.078 | Formula: C15H13BrINO
H donors: 1 H acceptors: 1 LogP: 4.94 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(c1)C)N=Cc1cc(Br)cc(c1O)I
InChi: 1S/C15H13BrINO/c1-9-3-4-14(10(2)5-9)18-8-11-6-12(16)7-13(17)15(11)19/h3-8,19H,1-2H3/b18-8+
InChiKey: FCDVGNSNPXXYGR-QGMBQPNBSA-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
Onchocerca volvulus	Huntingtin homolog	0.0121	0.1599	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4112	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0137	0.0479
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0022	0.0124	0.0266
Echinococcus granulosus	geminin	0.0167	0.2294	0.2198
Plasmodium falciparum	superoxide dismutase [Fe]	0.0038	0.0353	0.4133
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0124	0.0266
Schistosoma mansoni	hypothetical protein	0.0167	0.2294	0.2198
Toxoplasma gondii	superoxide dismutase SOD2	0.0066	0.0786	0.5115
Trypanosoma cruzi	iron superoxide dismutase, putative	0.0066	0.0786	0.2265
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0137	0.0479
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0137	0.0552
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0048	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0137	0.0857
Brugia malayi	hypothetical protein	0.0121	0.1599	1
Echinococcus multilocularis	manganese superoxide dismutase	0.0066	0.0786	0.0671
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0124	0.0775
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0022	0.0124	0.0775
Brugia malayi	hypothetical protein	0.0035	0.0319	0.1992
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4112	1
Onchocerca volvulus		0.0027	0.0185	0.033
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0137	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0137	0.0857
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0237	0.3348	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0022	0.0124	0.0266
Giardia lamblia	Fructose-bisphosphate aldolase	0.0288	0.4112	1
Trichomonas vaginalis	superoxide dismutase [fe], putative	0.0066	0.0786	0.1661
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0124	0.0775
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4112	1
Echinococcus multilocularis	microtubule associated protein 2	0.0679	1	1
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0022	0.0124	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0178	0.1113
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0022	0.0124	0.1024
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0109	0.1419	0.887
Trypanosoma cruzi	superoxide dismutase, putative	0.0038	0.0353	0.0958
Trichomonas vaginalis	superoxide dismutase, putative	0.0066	0.0786	0.1661
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0022	0.0124	0.1024
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0786	0.4915
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4112	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.014	0.1899	1
Trypanosoma cruzi	superoxide dismutase, putative	0.0038	0.0353	0.0958
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0109	0.1419	0.1311
Leishmania major	superoxide dismutase, putative	0.0038	0.0353	0.0711
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0109	0.1419	0.1311
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4112	1
Toxoplasma gondii	superoxide dismutase	0.0066	0.0786	0.5115
Echinococcus multilocularis	lamin dm0	0.0027	0.0185	0.0062
Trichomonas vaginalis	superoxide dismutase, putative	0.0066	0.0786	0.1661
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0109	0.1419	0.4015
Leishmania major	iron superoxide dismutase	0.0066	0.0786	0.2054
Schistosoma mansoni	hypothetical protein	0.0035	0.0319	0.0197
Echinococcus granulosus	intermediate filament protein	0.0027	0.0185	0.0062
Leishmania major	superoxide dismutase, putative	0.0038	0.0353	0.0711
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0109	0.1419	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0048	0.0302
Echinococcus granulosus	lamin dm0	0.0027	0.0185	0.0062
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0137	0.0479
Onchocerca volvulus		0.0027	0.0185	0.033
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0109	0.1419	0.4174
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0137	0.0479
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0022	0.0124	0.0266
Trypanosoma brucei	iron superoxide dismutase	0.0066	0.0786	0.2265
Plasmodium falciparum	superoxide dismutase [Fe]	0.0066	0.0786	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0137	0.0857
Onchocerca volvulus	Superoxide dismutase [Mn], mitochondrial homolog	0.0066	0.0786	0.4439
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0137	0.0479
Trichomonas vaginalis	iron superoxide dismutase A, putative	0.0066	0.0786	0.1661
Schistosoma mansoni	superoxide dismutase [mn]	0.0066	0.0786	0.0671
Echinococcus granulosus	manganese superoxide dismutase	0.0066	0.0786	0.0671
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4112	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0137	0.0041
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0137	0.0041
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0022	0.0124	0.1024
Trypanosoma brucei	hypothetical protein, conserved	0.0022	0.0124	0.0266
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0124	0.0266
Schistosoma mansoni	microtubule-associated protein tau	0.0679	1	1
Trichomonas vaginalis	superoxide dismutase [fe], putative	0.0066	0.0786	0.1661
Loa Loa (eye worm)	PDE1B protein	0.0109	0.1419	0.887
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.014	0.1899	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0022	0.0124	0.0775
Schistosoma mansoni	hypothetical protein	0.0167	0.2294	0.2198
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0109	0.1419	0.1311
Brugia malayi	Superoxide dismutase, mitochondrial precursor, putative	0.0066	0.0786	0.4915
Leishmania major	iron superoxide dismutase, putative	0.0066	0.0786	0.2054
Toxoplasma gondii	superoxide dismutase SOD3	0.0066	0.0786	0.5115
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0124	0.0775
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0022	0.0124	0.0551
Echinococcus multilocularis	geminin	0.0167	0.2294	0.2198
Mycobacterium ulcerans	superoxide dismutase [Fe] SodA	0.0066	0.0786	0.3986
Trypanosoma cruzi	iron superoxide dismutase A, mitochondrial	0.0066	0.0786	0.2265
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.014	0.1899	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0319	0.0457
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0022	0.0124	0.0266
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0022	0.0124	0.0266
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0185	0.1159
Trypanosoma cruzi	iron superoxide dismutase, putative	0.0045	0.0469	0.1307
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0109	0.1419	0.4174
Wolbachia endosymbiont of Brugia malayi	superoxide dismutase, SodA	0.0066	0.0786	0.5
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0022	0.0124	0.0775
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0022	0.0124	0.0551
Echinococcus multilocularis	musashi	0.0027	0.0185	0.0062
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0124	0.0266
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0109	0.1419	0.1311
Trypanosoma cruzi	superoxide dismutase, putative	0.0038	0.0353	0.0958
Trypanosoma cruzi	iron superoxide dismutase, putative	0.0066	0.0786	0.2265
Onchocerca volvulus	Superoxide dismutase [Mn], mitochondrial homolog	0.0066	0.0786	0.4439
Entamoeba histolytica	iron-containing superoxide dismutase	0.0066	0.0786	0.1633
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0319	0.0197
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4112	1
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0237	0.3348	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0319	0.0197
Mycobacterium tuberculosis	Superoxide dismutase [FE] SodA	0.0066	0.0786	0.4032
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0022	0.0124	0.1024
Mycobacterium leprae	Probable superoxide dismutase SodA	0.0066	0.0786	0.3683
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0185	0.1159
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0137	0.0041
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0237	0.3348	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0124	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1599	1
Echinococcus multilocularis	lamin	0.0027	0.0185	0.0062
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0022	0.0124	0.0775
Chlamydia trachomatis	superoxide dismutase	0.0066	0.0786	1
Trypanosoma brucei	iron superoxide dismutase	0.0066	0.0786	0.2265
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0048	0.0077
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0124	0.0266
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0137	0.0857
Trypanosoma brucei	iron superoxide dismutase A, mitochondrial	0.0066	0.0786	0.2265
Trypanosoma cruzi	iron superoxide dismutase, putative	0.0066	0.0786	0.2265
Plasmodium falciparum	phosphodiesterase delta, putative	0.0022	0.0124	0.1024
Schistosoma mansoni	lamin	0.0027	0.0185	0.0062
Plasmodium vivax	superoxide dismutase [Fe], putative	0.0038	0.0353	0.2225
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0109	0.1419	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0048	0.0302
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0022	0.0124	0.0266
Trypanosoma cruzi	iron superoxide dismutase A, mitochondrial	0.0066	0.0786	0.2265
Trichomonas vaginalis	superoxide dismutase [fe], putative	0.0066	0.0786	0.1661
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0022	0.0124	0.0775
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0185	0.1159
Plasmodium vivax	phosphodiesterase gamma, putative	0.0022	0.0124	0.0551
Trypanosoma brucei	iron superoxide dismutase C, mitochondrial	0.0038	0.0353	0.0958
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.4112	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0319	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0048	0.0302
Onchocerca volvulus	Superoxide dismutase [Mn], mitochondrial homolog	0.0045	0.0469	0.2268
Trichomonas vaginalis	superoxide dismutase [mn], putative	0.0066	0.0786	0.1661
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0185	0.0062
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0109	0.1419	0.1311
Entamoeba histolytica	hypothetical protein	0.0035	0.0319	0.0457
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0137	0.0479
Entamoeba histolytica	hypothetical protein	0.0035	0.0319	0.0457
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4112	1
Onchocerca volvulus	Huntingtin homolog	0.0121	0.1599	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0137	0.0857
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.4112	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0048	0.0302
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0319	0.0197
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0109	0.1419	0.4174
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0124	0.0775
Trypanosoma brucei	superoxide dismutase, putative	0.0038	0.0353	0.0958
Schistosoma mansoni	lamin	0.0027	0.0185	0.0062
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0137	0.0479
Brugia malayi	intermediate filament protein	0.0027	0.0185	0.1159
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0022	0.0124	0.0775
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0109	0.1419	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0022	0.0124	0.0266
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0124	0.0266
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0022	0.0124	0.0266
Leishmania major	iron superoxide dismutase, putative	0.0066	0.0786	0.2054
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1599	1
Plasmodium vivax	superoxide dismutase [Fe], putative	0.0066	0.0786	0.5384
Trypanosoma cruzi	superoxide dismutase, putative	0.0038	0.0353	0.0958
Echinococcus granulosus	lamin	0.0027	0.0185	0.0062
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0022	0.0124	0.1024
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0137	0.0552
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0137	0.0479
Treponema pallidum	fructose-bisphosphate aldolase	0.0288	0.4112	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0185	0.1159

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 804811