TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 410.531 | Formula: C26H22N2OS
H donors: 0 H acceptors: 1 LogP: 6.2 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(s1)C1N(c2ccccc2c2ccccc2)C(=O)c2c(N1C)cccc2
InChi: 1S/C26H22N2OS/c1-18-16-17-24(30-18)25-27(2)22-14-8-7-13-21(22)26(29)28(25)23-15-9-6-12-20(23)19-10-4-3-5-11-19/h3-17,25H,1-2H3
InChiKey: WJBBMUMVOLXNQG-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
Schistosoma mansoni	hypothetical protein	0.0033	0.3997	0.3861
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Leishmania major	DNA polymerase eta, putative	0.0031	0.3518	0.4775
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0465	0.0257
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1161	0.1904
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.1161	1
Trypanosoma brucei	unspecified product	0.0019	0.1161	0.1904
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.6098	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.6286	0.6201
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3997	0.4006
Echinococcus granulosus	dna polymerase kappa	0.0019	0.1161	0.096
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.6098	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.1161	0.096
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.9646	0.9638
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0465	0.0257
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1161	0.1904
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.1161	0.5
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1161	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1161	0.1904
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1161	0.1904
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.9646	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.6286	0.6435
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.6286	0.6201
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1161	0.1904
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.1161	0.5
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0014	0.0222	0.0364
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0465	0.0248
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.002	0.1479	0.3144
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0034	0.416	0.9849
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.6286	0.6435
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.9646	1
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Brugia malayi	TAR-binding protein	0.0061	0.9646	1
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0465	0.0248
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1161	0.1904
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0465	0.0248
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.9646	0.9638
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.6286	0.6201
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Leishmania major	DNA polymerase eta, putative	0.0044	0.6098	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.7041	0.7236
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.6286	0.6201
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0465	0.0248
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.6286	0.6201
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.002	0.1479	0.3144
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.9646	0.9638
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.1161	0.2347
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.1161	0.0996
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.1161	0.096
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1161	0.1904
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0465	0.0257
Echinococcus granulosus	GPCR family 2	0.0015	0.0465	0.0248
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1161	0.1904
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Loa Loa (eye worm)	hypothetical protein	0.0048	0.7041	0.7236
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.7041	0.7236
Schistosoma mansoni	hypothetical protein	0.0015	0.0465	0.0248
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.9646	0.9638
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.4221	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0465	0.0248
Loa Loa (eye worm)	RNA binding protein	0.0061	0.9646	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.6098	0.6235
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.1161	0.096
Giardia lamblia	DINP protein human, muc B family	0.0019	0.1161	0.5
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.1161	0.2347
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.9646	0.9638
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.6286	0.6201
Schistosoma mansoni	DNA polymerase eta	0.0044	0.6098	0.6009
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.1161	0.0996
Brugia malayi	Protein kinase domain containing protein	0.0034	0.4221	0.4243
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1161	0.1904
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.6286	0.6201
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1161	0.1904
Echinococcus granulosus	dna polymerase eta	0.0044	0.6098	0.6009
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.7041	0.7236
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0465	0.0257
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Echinococcus multilocularis	dna polymerase eta	0.0044	0.6098	0.6009
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.1161	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1161	0.1904
Trichomonas vaginalis	serine/threonine-protein kinase, putative	0.002	0.1479	0.3144
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.1161	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.3997	0.4006
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0034	0.4221	0.4243
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.9646	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0465	0.0248
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1161	0.1904
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trichomonas vaginalis	serine/threonine-protein kinase ypk, putative	0.002	0.1479	0.3144
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.3518	0.3371
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.1161	0.096
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.9646	0.9638
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0465	0.0248
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Echinococcus granulosus	tar DNA binding protein	0.0061	0.9646	0.9638
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.6098	0.6235
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Brugia malayi	RNA binding protein	0.0061	0.9646	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0465	0.0248
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.4221	1
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.1161	0.096
Trichomonas vaginalis	AGC family protein kinase	0.002	0.1479	0.3144
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.3518	0.4775
Trichomonas vaginalis	cAMP-dependent protein kinase catalytic subunit, putative	0.002	0.1479	0.3144
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.4221	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 99 %	Cytoprotective activity against shiga toxin-induced cytotoxicity in human HeLa cells at 30 uM incubated for 4 hrs prior to shiga toxin addition measured after 20 hrs by liquid scintillation counting analysis relative to Retro-2	ChEMBL.	23517565

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: CHEMBL2324647

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 1727745