TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 487.57 | Formula: C27H25N3O4S
H donors: 0 H acceptors: 3 LogP: 5.28 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCN(C(=O)c1ccc(cc1)C(=O)c1ccccc1)c1sc2c(n1)cc1c(c2)OCO1)C
InChi: 1S/C27H25N3O4S/c1-29(2)13-6-14-30(27-28-21-15-22-23(34-17-33-22)16-24(21)35-27)26(32)20-11-9-19(10-12-20)25(31)18-7-4-3-5-8-18/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3
InChiKey: OGEQWAXKLZAXPG-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
Onchocerca volvulus		0.0966	0.1678	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.002	0.0018
Schistosoma mansoni	BC026374 protein (S09 family)	0.0966	0.1678	0.1677
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0966	0.1678	0.1677
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.0532	0.0528
Echinococcus multilocularis	cpg binding protein	0.0037	0.005	0.0049
Brugia malayi	Carboxylesterase family protein	0.0966	0.1678	0.1674
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.0532	0.3172
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.002	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0966	0.1678	0.1674
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0966	0.1678	0.1677
Schistosoma mansoni	hypothetical protein	0.0019	0.002	0.0018
Schistosoma mansoni	hypothetical protein	0.0019	0.002	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0719	0.1246	0.1241
Echinococcus granulosus	geminin	0.0205	0.0345	0.0343
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.0532	0.3172
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0345	0.2053
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.0532	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0966	0.1678	0.1674
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0966	0.1678	0.1677
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0345	0.2053
Loa Loa (eye worm)	carboxylesterase	0.0966	0.1678	0.1674
Leishmania major	C-8 sterol isomerase-like protein	0.0719	0.1246	0.5
Echinococcus granulosus	cpg binding protein	0.0037	0.005	0.0049
Brugia malayi	Carboxylesterase family protein	0.0966	0.1678	0.1674
Schistosoma mansoni	hypothetical protein	0.0205	0.0345	0.0343
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0345	0.2053
Giardia lamblia	DNA repair protein RAD52	0.042	0.0721	0.5
Schistosoma mansoni	cpg binding protein	0.0035	0.0047	0.0046
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.5719	1	1
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0719	0.1246	0.5
Echinococcus multilocularis	carboxylesterase 5A	0.5719	1	1
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.0851	0.085
Mycobacterium ulcerans	carboxylesterase, LipT	0.0966	0.1678	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0058	0.0053
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.0532	0.3172
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0058	0.0054
Brugia malayi	Carboxylesterase family protein	0.5719	1	1
Brugia malayi	Carboxylesterase family protein	0.0966	0.1678	0.1674
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.0364	0.2168
Loa Loa (eye worm)	carboxylesterase	0.0966	0.1678	0.1674
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0345	0.2053
Schistosoma mansoni	hypothetical protein	0.0019	0.002	0.0018
Echinococcus granulosus	GPCR family 2	0.0019	0.002	0.0018
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.0345	0.1824
Schistosoma mansoni	acetylcholinesterase	0.0966	0.1678	0.1677
Schistosoma mansoni	hypothetical protein	0.0019	0.002	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0966	0.1678	0.1674
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0345	0.2053
Echinococcus granulosus	para nitrobenzyl esterase	0.0966	0.1678	0.1677
Schistosoma mansoni	hypothetical protein	0.0494	0.0851	0.085
Schistosoma mansoni	hypothetical protein	0.0041	0.0058	0.0057
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0005	0.0004
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0047	0.0042
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0966	0.1678	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.0364	0.2168
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0966	0.1678	0.5
Onchocerca volvulus		0.0966	0.1678	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0092	0.0087
Echinococcus granulosus	acetylcholinesterase	0.5719	1	1
Schistosoma mansoni	gliotactin	0.0966	0.1678	0.1677
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0966	0.1678	0.1677
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0966	0.1678	0.1677
Loa Loa (eye worm)	hypothetical protein	0.0368	0.063	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0966	0.1678	0.1674
Loa Loa (eye worm)	acetylcholinesterase 1	0.5719	1	1
Echinococcus multilocularis	acetylcholinesterase	0.5719	1	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0966	0.1678	1
Loa Loa (eye worm)	hypothetical protein	0.0966	0.1678	0.1674
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.0532	0.3172
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.0532	0.3172
Schistosoma mansoni	cpg binding protein	0.0037	0.005	0.0049
Echinococcus granulosus	carboxylesterase 5A	0.5719	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0092	0.0087
Echinococcus granulosus	BC026374 protein S09 family	0.0966	0.1678	0.1677
Onchocerca volvulus		0.0966	0.1678	1
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.042	0.0721	1
Schistosoma mansoni	hypothetical protein	0.0205	0.0345	0.0343
Loa Loa (eye worm)	hypothetical protein	0.5719	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0115	0.0114
Echinococcus granulosus	neuroligin	0.0966	0.1678	0.1677
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0719	0.1246	0.1242
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.002	0.0018
Echinococcus multilocularis	para nitrobenzyl esterase	0.0966	0.1678	0.1677
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0345	0.2053
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0966	0.1678	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.002	0.0015
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0345	0.2053
Loa Loa (eye worm)	hypothetical protein	0.5719	1	1
Brugia malayi	hypothetical protein	0.0966	0.1678	0.1674
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.002	0.0015
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.002	0.0015
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.0532	0.3172
Onchocerca volvulus		0.0966	0.1678	1
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0047	0.0042
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0966	0.1678	0.5
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0719	0.1246	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0966	0.1678	0.1677
Echinococcus multilocularis	neuroligin	0.0966	0.1678	0.1677
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0966	0.1678	0.1677
Brugia malayi	Carboxylesterase family protein	0.0966	0.1678	0.1674
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.002	0.0018
Schistosoma mansoni	cpg binding protein	0.0037	0.005	0.0049
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0005	0.0004
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0092	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0019	0.002	0.0015
Echinococcus multilocularis	GPCR, family 2	0.0019	0.002	0.0018
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0101	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0092	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0966	0.1678	0.1674
Echinococcus granulosus	acetylcholinesterase	0.5719	1	1
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.0851	0.085
Onchocerca volvulus		0.0966	0.1678	1
Echinococcus multilocularis	acetylcholinesterase	0.5719	1	1
Loa Loa (eye worm)	carboxylesterase	0.5719	1	1
Echinococcus multilocularis	geminin	0.0205	0.0345	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0966	0.1678	0.1674

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: CHEMBL1625842

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1473979