TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 519.68 | Formula: C24H33N5O4S2
H donors: 5 H acceptors: 4 LogP: 1.33 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: ONC(=O)CCCCCNC(=O)[C@@H]1CC2(CN1C(=O)[C@H](Cc1c[nH]c3c1cccc3)N)SCCS2
InChi: 1S/C24H33N5O4S2/c25-18(12-16-14-27-19-7-4-3-6-17(16)19)23(32)29-15-24(34-10-11-35-24)13-20(29)22(31)26-9-5-1-2-8-21(30)28-33/h3-4,6-7,14,18,20,27,33H,1-2,5,8-13,15,25H2,(H,26,31)(H,28,30)/t18-,20-/m0/s1
InChiKey: UTODHCBPNCOZPU-ICSRJNTNSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	conserved hypothetical protein	0.0011	0.109	0.5093
Schistosoma mansoni	semaphorin 5-related	0.0025	0.3182	0.3802
Onchocerca volvulus		0.0061	0.8369	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.214	0.214
Echinococcus granulosus	cpg binding protein	0.0029	0.3786	0.3786
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0386	0.1806
Loa Loa (eye worm)	sema domain-containing protein	0.0025	0.3182	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0011	0.109	0.109
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.214	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0476	0.0476
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0476	0.0569
Echinococcus granulosus	exocyst complex component 2	0.0011	0.109	0.109
Loa Loa (eye worm)	hypothetical protein	0.0011	0.109	0.109
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.214	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.109	0.5093
Entamoeba histolytica	hypothetical protein	0.0011	0.109	0.5093
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0011	0.109	0.5093
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0476	0.0476
Brugia malayi	Probable exocyst complex component Sec5	0.0011	0.109	0.109
Loa Loa (eye worm)	hypothetical protein	0.0011	0.109	0.109
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.109	0.5093
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.214	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0386	0.1806
Loa Loa (eye worm)	hypothetical protein	0.0025	0.3182	0.3182
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0386	0.1806
Schistosoma mansoni	plexin	0.0035	0.4646	0.5551
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0725	0.0725
Schistosoma mansoni	hypothetical protein	0.0011	0.109	0.1302
Schistosoma mansoni	fibrocystin l	0.0011	0.109	0.1302
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0386	0.1806
Schistosoma mansoni	hypothetical protein	0.0025	0.3182	0.3802
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0386	0.1806
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.109	0.5093
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.214	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0386	0.1806
Loa Loa (eye worm)	hypothetical protein	0.0025	0.3182	0.3182
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0386	0.1806
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0046	0.0055
Brugia malayi	hypothetical protein	0.0025	0.3182	0.3182
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.214	1
Schistosoma mansoni	ap endonuclease	0.0018	0.214	0.2557
Echinococcus granulosus	semaphorin 5B	0.0025	0.3182	0.3182
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0011	0.109	0.5093
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0386	0.1806
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0386	0.1806
Loa Loa (eye worm)	hypothetical protein	0.0061	0.8369	0.8369
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0386	0.1806
Brugia malayi	hypothetical protein	0.0025	0.3182	0.3182
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0709	0.0709
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0386	0.1806
Echinococcus multilocularis	exocyst complex component 2	0.0011	0.109	0.109
Toxoplasma gondii	exonuclease III APE	0.0018	0.214	0.2966
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.214	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0386	0.1806
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.214	0.214
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.214	1
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0011	0.109	0.5093
Entamoeba histolytica	cell surface protease gp63, putative	0.0011	0.109	0.5093
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.109	0.5093
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.214	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.7216	1
Schistosoma mansoni	ap endonuclease	0.0018	0.214	0.2557
Schistosoma mansoni	plexin	0.0061	0.8369	1
Schistosoma mansoni	cpg binding protein	0.0028	0.3553	0.4246
Schistosoma mansoni	cpg binding protein	0.0029	0.3786	0.4524
Loa Loa (eye worm)	hypothetical protein	0.0025	0.3182	0.3182
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0011	0.109	0.5093
Schistosoma mansoni	hypothetical protein	0.0035	0.4646	0.5551
Loa Loa (eye worm)	hypothetical protein	0.0025	0.3182	0.3182
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0386	0.1806
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.214	0.214
Echinococcus multilocularis	semaphorin 5B	0.0025	0.3182	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0025	0.3182	0.3182
Schistosoma mansoni	hypothetical protein	0.0025	0.3182	0.3802
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0011	0.109	0.5093
Brugia malayi	IPT/TIG domain containing protein	0.0011	0.109	0.109
Onchocerca volvulus		0.0028	0.3553	0.4246
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0476	0.0476
Brugia malayi	CXXC zinc finger family protein	0.0028	0.3553	0.3553
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0386	0.1806
Brugia malayi	DNA-binding protein LAG-1	0.0011	0.109	0.109
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0725	0.0725
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0476	0.0476
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.214	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.214	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.3182	0.3182
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0386	0.1806
Entamoeba histolytica	hypothetical protein	0.0011	0.109	0.5093
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.109	0.5093
Entamoeba histolytica	hypothetical protein	0.0011	0.109	0.5093
Entamoeba histolytica	protein kinase domain containing protein	0.0014	0.1526	0.7131
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.214	1
Onchocerca volvulus		0.0025	0.3182	0.3802
Echinococcus granulosus	transcription factor collier	0.0011	0.109	0.109
Echinococcus multilocularis	hypothetical protein	0.0025	0.3182	0.3182
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0386	0.1806
Schistosoma mansoni	cpg binding protein	0.0029	0.3786	0.4524
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.214	1
Brugia malayi	Sema domain containing protein	0.0025	0.3182	0.3182
Echinococcus granulosus	semaphorin 1A	0.0025	0.3182	0.3182
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.8143	0.973
Brugia malayi	Sema domain containing protein	0.0025	0.3182	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4646	0.4646
Brugia malayi	Plexin repeat family protein	0.0061	0.8369	0.8369
Schistosoma mansoni	hypothetical protein	0.0011	0.109	0.1302
Entamoeba histolytica	hypothetical protein	0.0011	0.109	0.5093
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.109	0.5093
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.214	1
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0725	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0011	0.109	0.109
Trichomonas vaginalis	helicase, putative	0.0006	0.0386	0.1806
Entamoeba histolytica	tyrosin kinase, putative	0.0014	0.1526	0.7131
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.214	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.3553	0.3553
Echinococcus multilocularis	cpg binding protein	0.0029	0.3786	0.3786
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0386	0.1806
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.214	0.214
Echinococcus multilocularis	transcription factor collier	0.0011	0.109	0.109
Loa Loa (eye worm)	sema domain-containing protein	0.0025	0.3182	0.3182

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: CHEMBL1852795

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 1078272