TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 456.515 | Formula: C22H24N4O5S
H donors: 1 H acceptors: 4 LogP: 1.96 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OC)ccc1CNC(=O)Cn1nc2c(c1C)N(C)S(=O)(=O)c1c2cccc1
InChi: 1S/C22H24N4O5S/c1-14-22-21(17-7-5-6-8-19(17)32(28,29)25(22)2)24-26(14)13-20(27)23-12-15-9-10-16(30-3)11-18(15)31-4/h5-11H,12-13H2,1-4H3,(H,23,27)
InChiKey: OYOFJYQUIGKHCL-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
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0144	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.4001	0.4001
Echinococcus multilocularis	lamin dm0	0.0053	0.3058	0.2929
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.4001	0.5479
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.3266	0.3266
Echinococcus granulosus	lamin	0.0053	0.3058	0.2929
Echinococcus multilocularis	musashi	0.0053	0.3058	0.2929
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.2766	0.366
Echinococcus granulosus	tar DNA binding protein	0.0068	0.4001	0.389
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0144	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0705	0.0624
Schistosoma mansoni	hypothetical protein	0.0015	0.0705	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0048	0.2766	0.3654
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.3266	0.3141
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0144	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.3435	0.3435
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0144	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0144	0.5
Echinococcus multilocularis	cpg binding protein	0.0029	0.1587	0.1431
Echinococcus granulosus	intermediate filament protein	0.0053	0.3058	0.2929
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0144	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.3058	0.4085
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0182	0.0182
Echinococcus granulosus	cpg binding protein	0.0029	0.1587	0.1431
Schistosoma mansoni	hypothetical protein	0.0164	1	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.1347	0.1186
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0288	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0117	0.707	1
Schistosoma mansoni	intermediate filament proteins	0.0053	0.3058	0.3058
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.282	0.3733
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.3266	0.3141
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0705	0.0532
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0144	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.2766	0.366
Echinococcus granulosus	GPCR family 2	0.0015	0.0705	0.0532
Echinococcus multilocularis	geminin	0.0164	1	1
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0117	0.707	0.7015
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0144	0.5
Schistosoma mansoni	hypothetical protein	0.0164	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1812	0.2247
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2998	0.3996
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.3042	0.5
Brugia malayi	TAR-binding protein	0.0068	0.4001	0.5479
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0144	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0144	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0144	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.4001	0.389
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.4001	0.4001
Schistosoma mansoni	lamin	0.0053	0.3058	0.3058
Schistosoma mansoni	hypothetical protein	0.0015	0.0705	0.0705
Onchocerca volvulus		0.0053	0.3058	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0705	0.0614
Schistosoma mansoni	cpg binding protein	0.0029	0.1587	0.1587
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0144	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0705	0.0614
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.282	0.2686
Schistosoma mansoni	hypothetical protein	0.0056	0.3266	0.3266
Brugia malayi	RNA binding protein	0.0068	0.4001	0.5479
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0144	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.282	0.282
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.282	0.282
Schistosoma mansoni	cpg binding protein	0.0029	0.1587	0.1587
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.282	0.2686
Brugia malayi	intermediate filament protein	0.0053	0.3058	0.4091
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0705	0.0624
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0117	0.707	0.7015
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0288	0.0108
Schistosoma mansoni	hypothetical protein	0.0015	0.0705	0.0705
Brugia malayi	cytoplasmic intermediate filament protein	0.0028	0.1523	0.1829
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0144	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0053	0.3058	0.4085
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.4001	0.5475
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0144	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0053	0.3058	0.4085
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.282	0.374
Schistosoma mansoni	hypothetical protein	0.0033	0.1812	0.1812
Brugia malayi	Intermediate filament tail domain containing protein	0.0053	0.3058	0.4091
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0705	0.0532
Echinococcus multilocularis	lamin	0.0053	0.3058	0.2929
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0705	0.0532
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.1347	0.1186
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0144	0.5
Echinococcus granulosus	lamin dm0	0.0053	0.3058	0.2929
Loa Loa (eye worm)	hypothetical protein	0.0025	0.1287	0.1472
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0705	0.0532
Loa Loa (eye worm)	MBCTL1	0.0056	0.3266	0.4392
Loa Loa (eye worm)	RNA binding protein	0.0068	0.4001	0.5475
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0117	0.707	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0705	0.0705
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.1812	0.2255
Loa Loa (eye worm)	hypothetical protein	0.0025	0.1287	0.1472
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0705	0.0532
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.4001	0.4001
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.4001	0.4001
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.282	0.2686
Schistosoma mansoni	cpg binding protein	0.0028	0.1488	0.1488
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1347	0.1561
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.4001	0.4001
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.282	0.2686
Schistosoma mansoni	lamin	0.0053	0.3058	0.3058
Trichomonas vaginalis	helicase, putative	0.0006	0.0144	0.5
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.1488	0.1769
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.4001	0.5475
Onchocerca volvulus		0.0053	0.3058	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0144	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.282	0.282
Brugia malayi	CXXC zinc finger family protein	0.0028	0.1488	0.1777
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.2766	0.3654
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0028	0.1523	0.182

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: CHEMBL2282220

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 1807752