TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 619.686 | Formula: C35H29N3O6S
H donors: 3 H acceptors: 5 LogP: 5.54 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: O=C(Nc1ccc(cc1C(=O)c1ccccc1)NC(=O)/C=C/c1ccc(o1)c1ccc(cc1)S(=O)(=O)N)Cc1ccc(cc1)C
InChi: 1S/C35H29N3O6S/c1-23-7-9-24(10-8-23)21-34(40)38-31-18-13-27(22-30(31)35(41)26-5-3-2-4-6-26)37-33(39)20-15-28-14-19-32(44-28)25-11-16-29(17-12-25)45(36,42)43/h2-20,22H,21H2,1H3,(H,37,39)(H,38,40)(H2,36,42,43)/b20-15+
InChiKey: SAQOJLVVMHVLCK-HMMYKYKNSA-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)	hypothetical protein	0.0054	0.2246	1
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Loa Loa (eye worm)	tubulin beta chain	0.0027	0.0458	0.2038
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Brugia malayi	Animal haem peroxidase family protein	0.0054	0.2246	1
Onchocerca volvulus		0.00539682	0.5	0.5
Echinococcus granulosus	alpha tubulin	0.0035	0.098	0.0547
Loa Loa (eye worm)	tubulin alpha chain	0.0035	0.098	0.4364
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Onchocerca volvulus	Peroxidasin homolog	0.00539682	0.5	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0035	0.098	1
Schistosoma mansoni	alpha tubulin	0.0035	0.098	0.0547
Trichomonas vaginalis	tubulin alpha chain, putative	0.0027	0.0458	0.467
Brugia malayi	Animal haem peroxidase family protein	0.00539682	0.5	0.5
Echinococcus multilocularis	peroxisome assembly protein 26	0.0035	0.098	0.0547
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Toxoplasma gondii	alpha tubulin TUBA1	0.0035	0.098	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0027	0.0458	0.2038
Loa Loa (eye worm)	animal heme peroxidase	0.0054	0.2246	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0035	0.098	1
Brugia malayi	Animal haem peroxidase family protein	0.00539682	0.5	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.00539682	0.5	0.5
Leishmania major	alpha tubulin	0.0035	0.098	1
Leishmania major	alpha tubulin	0.0035	0.098	1
Loa Loa (eye worm)	tubulin alpha 2	0.0023	0.0228	0.1015
Brugia malayi	Animal haem peroxidase family protein	0.0054	0.2246	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0035	0.098	0.0547
Entamoeba histolytica	tubulin alpha chain, putative	0.0035	0.098	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.0027	0.0458	0.2038
Trichomonas vaginalis	tubulin beta chain, putative	0.0035	0.098	1
Loa Loa (eye worm)	BEN-1 protein	0.0027	0.0458	0.2038
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Brugia malayi	Blistered cuticle protein 3	0.0054	0.2246	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0035	0.098	1
Brugia malayi	hypothetical protein	0.00539682	0.5	0.5
Leishmania major	alpha tubulin	0.0035	0.098	1
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Schistosoma mansoni	peroxidasin	0.0054	0.2246	0.1874
Toxoplasma gondii	alpha-tubulin I, putative	0.0035	0.098	1
Brugia malayi	alpha-tubulin	0.0035	0.098	0.2922
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Echinococcus granulosus	Tubulin alpha 1 chain	0.0035	0.098	0.0547
Trypanosoma brucei	RNA helicase, putative	0.0105	0.5575	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0035	0.098	0.0547
Plasmodium vivax	tubulin alpha chain, putative	0.0035	0.098	1
Leishmania major	alpha tubulin	0.0035	0.098	1
Onchocerca volvulus		0.00539682	0.5	0.5
Loa Loa (eye worm)	tubulin alpha 2	0.0023	0.0228	0.1015
Schistosoma mansoni	hypothetical protein	0.0035	0.0993	0.0561
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Echinococcus multilocularis	tubulin alpha chain	0.0035	0.098	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Brugia malayi	Animal haem peroxidase family protein	0.0054	0.2246	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0054	0.2246	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.2042	0.8862
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.2042	0.8862
Trichomonas vaginalis	tubulin beta chain, putative	0.0035	0.098	1
Onchocerca volvulus		0.00539682	0.5	0.5
Loa Loa (eye worm)	BEN-1 protein	0.0027	0.0458	0.2038
Schistosoma mansoni	alpha tubulin	0.0035	0.098	0.0547
Leishmania major	alpha tubulin	0.0035	0.098	1
Schistosoma mansoni	tubulin subunit alpha	0.0035	0.098	0.0547
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0035	0.098	0.0547
Loa Loa (eye worm)	animal heme peroxidase	0.00539682	0.5	0.5
Echinococcus multilocularis	geminin	0.0173	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0035	0.098	0.2922
Brugia malayi	Tubulin alpha-2 chain	0.0035	0.098	0.2922
Echinococcus multilocularis	tubulin alpha chain	0.0035	0.098	0.0547
Echinococcus granulosus	tubulin alpha chain	0.0035	0.098	0.0547
Schistosoma mansoni	hypothetical protein	0.0173	1	1
Leishmania major	alpha tubulin	0.0035	0.098	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0035	0.098	0.4364
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Leishmania major	alpha tubulin	0.0035	0.098	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0035	0.098	1
Loa Loa (eye worm)	beta-tubulin	0.0027	0.0458	0.2038
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0993	0.4421
Echinococcus multilocularis	tubulin alpha chain	0.0035	0.098	0.0547
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0023	0.0228	0.2326
Echinococcus multilocularis	hypothetical protein	0.0035	0.098	0.0547
Schistosoma mansoni	hypothetical protein	0.0173	1	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.00539682	0.5	0.5
Echinococcus granulosus	tubulin alpha 3 chain	0.0035	0.098	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0993	0.2993
Echinococcus multilocularis	peroxidasin	0.00539682	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0035	0.098	0.0547
Trichomonas vaginalis	tubulin, putative	0.0027	0.0458	0.467
Leishmania major	alpha tubulin	0.0035	0.098	1
Onchocerca volvulus		0.0054	0.2246	0.5
Echinococcus granulosus	peroxidasin	0.0054	0.2246	0.1874
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Loa Loa (eye worm)	animal heme peroxidase	0.00539682	0.5	0.5
Echinococcus granulosus	tubulin alpha 3 chain	0.0035	0.098	0.0547
Leishmania major	alpha tubulin	0.0035	0.098	1
Onchocerca volvulus	Chorion peroxidase homolog	0.00539682	0.5	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.00539682	0.5	0.5
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0035	0.098	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0023	0.0228	0.1015
Onchocerca volvulus	Peroxidase homolog	0.0054	0.2246	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0035	0.098	1
Brugia malayi	tubulin alpha chain - mouse	0.0035	0.098	0.2922
Loa Loa (eye worm)	alpha-tubulin	0.0035	0.098	0.4364
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0027	0.0458	0.467
Leishmania major	alpha tubulin	0.0035	0.098	1
Loa Loa (eye worm)	animal heme peroxidase	0.0054	0.2246	1
Onchocerca volvulus	Peroxidase homolog	0.0054	0.2246	0.5
Leishmania major	alpha tubulin	0.0035	0.098	1
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Brugia malayi	hypothetical protein	0.0054	0.2246	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0027	0.0458	0.2038
Brugia malayi	Animal haem peroxidase family protein	0.00539682	0.5	0.5
Echinococcus granulosus	Tubulin alpha 1 chain	0.0035	0.098	0.0547
Brugia malayi	Animal haem peroxidase family protein	0.0054	0.2246	1
Schistosoma mansoni	peroxidasin	0.00539682	0.5	0.5
Echinococcus granulosus	tubulin subunit TubB	0.0035	0.098	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Schistosoma mansoni	hypothetical protein	0.0105	0.5575	0.5362
Giardia lamblia	Alpha-tubulin	0.0035	0.098	1
Brugia malayi	Blistered cuticle protein 3	0.00539682	0.5	0.5
Brugia malayi	Animal haem peroxidase family protein	0.00539682	0.5	0.5
Schistosoma mansoni	peroxidasin	0.0054	0.2246	0.1874
Loa Loa (eye worm)	tubulin gamma chain	0.0027	0.0458	0.2038
Trichomonas vaginalis	tubulin alpha chain, putative	0.0027	0.0458	0.467
Entamoeba histolytica	tubulin alpha-1 chain	0.0035	0.098	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0027	0.0458	0.467
Plasmodium falciparum	alpha tubulin 1	0.0035	0.098	1
Brugia malayi	Peroxidasin	0.0054	0.2246	1
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Plasmodium vivax	tubulin alpha chain, putative	0.0035	0.098	1
Leishmania major	alpha tubulin	0.0035	0.098	1
Trypanosoma brucei	alpha tubulin	0.0035	0.098	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0228	0.1015
Echinococcus multilocularis	tubulin alpha 1C chain	0.0035	0.098	0.0547
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0027	0.0458	0.467
Loa Loa (eye worm)	blistered cuticle protein 3	0.0054	0.2246	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0035	0.098	0.0547
Trichomonas vaginalis	tubulin beta chain, putative	0.0027	0.0458	0.467
Onchocerca volvulus	Peroxidasin homolog	0.00539682	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Onchocerca volvulus	Dual oxidase homolog	0.0054	0.2246	0.5
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Echinococcus granulosus	peroxidasin	0.00539682	0.5	0.5
Echinococcus granulosus	tubulin alpha chain	0.0035	0.098	0.0547
Brugia malayi	tubulin alpha-2 chain	0.0035	0.098	0.2922
Echinococcus granulosus	peroxisome assembly protein 26	0.0035	0.098	0.0547
Echinococcus granulosus	Tubulin alpha 1 chain	0.0035	0.098	0.0547
Brugia malayi	Animal haem peroxidase family protein	0.00539682	0.5	0.5
Onchocerca volvulus	Peroxidase homolog	0.00539682	0.5	0.5
Echinococcus granulosus	tubulin alpha chain	0.0035	0.098	0.0547
Loa Loa (eye worm)	animal heme peroxidase	0.0054	0.2246	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0035	0.098	0.0547
Trichomonas vaginalis	tubulin gamma chain, putative	0.0027	0.0458	0.467
Brugia malayi	Animal haem peroxidase family protein	0.0054	0.2246	1
Schistosoma mansoni	tubulin subunit alpha	0.0035	0.098	0.0547
Echinococcus multilocularis	peroxidasin	0.0054	0.2246	0.1874
Loa Loa (eye worm)	tubulin alpha chain	0.0035	0.098	0.4364
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0035	0.098	0.0547
Trypanosoma brucei	alpha tubulin	0.0035	0.098	0.1021
Loa Loa (eye worm)	alpha-tubulin	0.0035	0.098	0.4364
Onchocerca volvulus		0.0054	0.2246	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.098	0.4364
Plasmodium falciparum	alpha tubulin 2	0.0035	0.098	1
Echinococcus multilocularis	tubulin alpha chain	0.0035	0.098	0.0547
Giardia lamblia	Alpha-tubulin	0.0035	0.098	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.2042	0.9094
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Trypanosoma brucei	alpha tubulin	0.0035	0.098	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Echinococcus multilocularis	tubulin alpha chain	0.0035	0.098	0.0547
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Loa Loa (eye worm)	animal heme peroxidase	0.0054	0.2246	1
Schistosoma mansoni	alpha tubulin	0.0035	0.098	0.0547
Brugia malayi	Peroxidasin	0.00539682	0.5	0.5
Echinococcus granulosus	tubulin alpha chain	0.0035	0.098	0.0547
Schistosoma mansoni	tubulin subunit alpha	0.0035	0.098	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0051	0.2042	0.9094
Onchocerca volvulus		0.0054	0.2246	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Loa Loa (eye worm)	hypothetical protein	0.00539682	0.5	0.5
Trichomonas vaginalis	tubulin gamma chain, putative	0.0027	0.0458	0.467
Brugia malayi	Tubulin alpha chain	0.0035	0.098	0.2922
Onchocerca volvulus	Peroxidasin homolog	0.0054	0.2246	0.5
Trypanosoma cruzi	alpha tubulin, putative	0.0035	0.098	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0035	0.098	1
Onchocerca volvulus	Peroxidasin homolog	0.0054	0.2246	0.5
Echinococcus multilocularis	tubulin subunit TubB	0.0035	0.098	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2246	1
Onchocerca volvulus	Dual oxidase homolog	0.00539682	0.5	0.5
Trypanosoma brucei	alpha tubulin	0.0035	0.098	0.1021
Echinococcus granulosus	tubulin alpha 1C chain	0.0035	0.098	0.0547
Schistosoma mansoni	peroxidasin	0.00539682	0.5	0.5
Onchocerca volvulus	Peroxidase homolog	0.00539682	0.5	0.5
Echinococcus granulosus	tubulin alpha chain	0.0035	0.098	0.0547

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 200 nM	Inhibition against intraerythrocytic forms of Plasmodium falciparum strains Dd2 using a semi-automated microdilution assay method	ChEMBL.	12798326
IC50 (functional)	= 200 nM	Inhibition against intraerythrocytic forms of Plasmodium falciparum strains Dd2 using a semi-automated microdilution assay method	ChEMBL.	12798326

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	12798326

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 107814