TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 393.588 | Formula: C24H31N3S
H donors: 1 H acceptors: 1 LogP: 7.75 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCC(Sc1cccc(c1)c1nc2n(c1NC1CCCCC1)cc(cc2)C)C
InChi: 1S/C24H31N3S/c1-4-18(3)28-21-12-8-9-19(15-21)23-24(25-20-10-6-5-7-11-20)27-16-17(2)13-14-22(27)26-23/h8-9,12-16,18,20,25H,4-7,10-11H2,1-3H3
InChiKey: NXOCRQISRSSXHE-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 multilocularis		0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0082	0.009	0.0117
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0082	0.009	0.009
Brugia malayi	hypothetical protein	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0082	0.009	0.009
Chlamydia trachomatis	glycogen phosphorylase	0.0901	0.3484	0.5
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0354	0.122	0.1591
Onchocerca volvulus		0.0082	0.009	0.0258
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Echinococcus multilocularis	acetylcholinesterase	0.0354	0.122	0.1591
Onchocerca volvulus		0.0082	0.009	0.0258
Onchocerca volvulus		0.0082	0.009	0.0258
Entamoeba histolytica	glycogen phosphorylase, putative	0.0901	0.3484	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0082	0.009	0.0117
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0354	0.122	0.122
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.0082	0.009	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Echinococcus multilocularis	carboxylesterase 5A	0.0354	0.122	0.1591
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Schistosoma mansoni	glycogen phosphorylase	0.039	0.1366	0.1366
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0082	0.009	0.009
Echinococcus multilocularis	acetylcholinesterase	0.0354	0.122	0.1591
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0082	0.009	0.0117
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Echinococcus granulosus	carboxylesterase 5A	0.0354	0.122	0.1591
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Echinococcus granulosus	acetylcholinesterase	0.0354	0.122	0.1591
Onchocerca volvulus		0.0082	0.009	0.0258
Brugia malayi	hypothetical protein	0.0082	0.009	0.0117
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Schistosoma mansoni	hypothetical protein	0.0219	0.0657	0.0657
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Onchocerca volvulus		0.0082	0.009	0.0258
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase	0.0082	0.009	0.0117
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0901	0.3484	1
Echinococcus multilocularis	hypothetical protein	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0082	0.009	0.5
Schistosoma mansoni	protein tyrosine phosphatase	0.0082	0.009	0.009
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0197	0.0569	0.0742
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0354	0.122	0.1591
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0082	0.009	0.0117
Entamoeba histolytica	glycogen phosphorylase, putative	0.039	0.1366	0.3758
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Schistosoma mansoni	protein tyrosine phosphatase	0.0082	0.009	0.009
Onchocerca volvulus		0.0082	0.009	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Onchocerca volvulus		0.0082	0.009	0.0258
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.039	0.1366	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.1912	0.7669	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1912	0.7669	1
Brugia malayi	hypothetical protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0082	0.009	0.0117
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0901	0.3484	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0082	0.009	0.0117
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0901	0.3484	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase 1	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Brugia malayi	Carboxylesterase family protein	0.0354	0.122	0.1591
Entamoeba histolytica	glycogen phosphorylase, putative	0.039	0.1366	0.3758
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0082	0.009	0.0117
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0197	0.0569	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0082	0.009	0.009
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.1912	0.7669	0.7669
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0082	0.009	0.009
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1912	0.7669	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Schistosoma mansoni	pcd6 interacting protein-related	0.0082	0.009	0.009
Echinococcus granulosus	glycogen phosphorylase	0.0901	0.3484	0.4544
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0082	0.009	0.5
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.045	0.1615	0.1615
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Loa Loa (eye worm)	acetylcholinesterase 1	0.0354	0.122	0.1591
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0197	0.0569	0.0742
Onchocerca volvulus		0.0082	0.009	0.0258
Brugia malayi	hypothetical protein	0.0082	0.009	0.0117
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0901	0.3484	0.4544
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.039	0.1366	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0082	0.009	0.0117
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0082	0.009	0.0117
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0197	0.0569	0.0742
Echinococcus multilocularis	glycogen phosphorylase	0.0901	0.3484	0.4544
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0082	0.009	0.009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Echinococcus granulosus	acetylcholinesterase	0.0354	0.122	0.1591
Loa Loa (eye worm)	carboxylesterase	0.0354	0.122	0.1591
Giardia lamblia	Glycogen phosphorylase	0.0901	0.3484	1
Onchocerca volvulus		0.0082	0.009	0.0258
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0082	0.009	0.009
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Leishmania major	tyrosine specific protein phosphatase, putative	0.0082	0.009	0.5
Schistosoma mansoni	glycogen phosphorylase	0.0901	0.3484	0.3484
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0082	0.009	0.5
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0197	0.0569	0.0742
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0082	0.009	0.009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Schistosoma mansoni	glycogen phosphorylase	0.0901	0.3484	0.3484
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0082	0.009	0.0117
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0082	0.009	0.0117
Trichomonas vaginalis	pten, drome, putative	0.0082	0.009	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Brugia malayi	hypothetical protein	0.0082	0.009	0.0117
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0082	0.009	0.009
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0197	0.0569	0.0742
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0082	0.009	0.0117
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0197	0.0569	0.0742
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	glycogen phosphorylase	0.0901	0.3484	0.4544
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0082	0.009	0.009
Trypanosoma brucei	RNA helicase, putative	0.0219	0.0657	1
Onchocerca volvulus		0.0082	0.009	0.0258
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0082	0.009	0.009
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0082	0.009	0.009
Onchocerca volvulus	4.1 G protein, putative homolog	0.0082	0.009	0.0258
Onchocerca volvulus		0.0082	0.009	0.0258
Echinococcus multilocularis	glycogen phosphorylase	0.0901	0.3484	0.4544
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0082	0.009	0.0117
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Entamoeba histolytica	glycogenphosphorylase, putative	0.039	0.1366	0.3758
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0082	0.009	0.009
Echinococcus granulosus	Glycosyl transferase family 35	0.0901	0.3484	0.4544
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Onchocerca volvulus		0.0082	0.009	0.0258
Brugia malayi	Protein-tyrosine phosphatase	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Schistosoma mansoni	protein tyrosine phosphatase	0.0082	0.009	0.009
Onchocerca volvulus		0.0082	0.009	0.0258
Brugia malayi	Carboxylesterase family protein	0.0354	0.122	0.1591
Entamoeba histolytica	glycogen phosphorylase, putative	0.0901	0.3484	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Echinococcus granulosus	glycogen phosphorylase	0.0901	0.3484	0.4544
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0082	0.009	0.0117
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0082	0.009	0.0117
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1912	0.7669	1
Brugia malayi	carbohydrate phosphorylase	0.0901	0.3484	0.4544
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0082	0.009	0.0117
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0082	0.009	0.0117

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: CHEMBL1616383

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 1474451