TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 682.936 | Formula: C36H50N4O5S2
H donors: 0 H acceptors: 4 LogP: 6.22 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc(cc1)S(=O)(=O)N1CCCN(CCCN(CC(=C)C1)S(=O)(=O)c1cccc2c1cccc2N(C)C)CC1CCCCC1
InChi: 1S/C36H50N4O5S2/c1-29-26-39(46(41,42)32-20-18-31(45-4)19-21-32)24-10-22-38(28-30-12-6-5-7-13-30)23-11-25-40(27-29)47(43,44)36-17-9-14-33-34(36)15-8-16-35(33)37(2)3/h8-9,14-21,30H,1,5-7,10-13,22-28H2,2-4H3
InChiKey: LDXAHUNJBYMFPB-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
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.1009	0.1009
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0521	0.0521
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2944	0.3846
Entamoeba histolytica	hypothetical protein	0.0039	0.1009	0.3429
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0807	0.0807
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0521	0.1772
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0773	0.0773
Leishmania major	GTP-binding protein, putative	0.0023	0.0521	0.1772
Schistosoma mansoni	serine/threonine protein kinase	0.0102	0.2944	0.2944
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0773	0.9583
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0521	0.0778
Entamoeba histolytica	Ran family GTPase	0.0023	0.0521	0.1772
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0102	0.2944	0.3121
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0807	0.0807
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0102	0.2944	0.2944
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0225	0.6703	0.6703
Entamoeba histolytica	hypothetical protein	0.0025	0.0593	0.2014
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0521	0.6463
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0521	0.0521
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0521	0.6463
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2944	0.3846
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0807	0.0807
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0521	0.6744
Schistosoma mansoni	ran	0.0023	0.0521	0.0521
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.1009	0.1009
Trichomonas vaginalis	ran, putative	0.0023	0.0521	0.0681
Trypanosoma cruzi	polo-like protein kinase, putative	0.0102	0.2944	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0773	0.2627
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0593	0.0775
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.1009	0.1009
Trypanosoma brucei	ULK family serine/threonine-protein kinase, putative	0.0006	0.001	0.0035
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2944	0.3846
Entamoeba histolytica	hypothetical protein	0.0039	0.1009	0.3429
Brugia malayi	Importin beta-1 subunit	0.0031	0.0773	0.1154
Plasmodium vivax	SET domain protein, putative	0.0032	0.0807	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0102	0.2944	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0521	0.0521
Schistosoma mansoni	hypothetical protein	0.0039	0.1009	0.1009
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0773	0.0773
Brugia malayi	RNA, U transporter 1	0.0089	0.2531	0.3777
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0102	0.2944	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0807	0.0807
Plasmodium falciparum	importin beta, putative	0.0031	0.0773	1
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0593	0.2014
Brugia malayi	serine/threonine-protein kinase plk-2	0.0102	0.2944	0.4392
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2944	0.3846
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0807	0.0807
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0807	0.0807
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0593	0.0775
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0773	0.2627
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0807	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0807	0.0807
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0102	0.2944	0.2944
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2944	0.3846
Trichomonas vaginalis	set domain proteins, putative	0.0256	0.7654	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0771	0.0771
Brugia malayi	Pre-SET motif family protein	0.0225	0.6703	1
Entamoeba histolytica	hypothetical protein	0.0039	0.1009	0.3429
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.1366	0.1785
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0593	0.0295
Onchocerca volvulus		0.0256	0.7654	1
Schistosoma mansoni	ran	0.0023	0.0521	0.0521
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2944	0.3846
Brugia malayi	Pre-SET motif family protein	0.0032	0.0807	0.1204
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0102	0.2944	0.2944
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0773	0.0773
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.1366	0.1785
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0102	0.2944	1
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0593	0.0775
Schistosoma mansoni	importin beta-1	0.0031	0.0773	0.0773
Trypanosoma brucei	polo-like protein kinase	0.0102	0.2944	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0773	0.9583
Giardia lamblia	Kinase, PLK	0.0102	0.2944	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0807	0.0807
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2944	0.3846
Schistosoma mansoni	kinase	0.0052	0.1407	0.1407
Entamoeba histolytica	hypothetical protein	0.0039	0.1009	0.3429
Brugia malayi	hypothetical protein	0.0039	0.1009	0.1506

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: CHEMBL1852183

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 1074148