TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 523.526 | Formula: C27H20F3N3O3S
H donors: 1 H acceptors: 3 LogP: 5.05 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: N#CC1=C(N)OC2=C(C1c1ccc(cc1)C(F)(F)F)S(=O)(=O)N(c1c2cccc1)Cc1cccc(c1)C
InChi: 1S/C27H20F3N3O3S/c1-16-5-4-6-17(13-16)15-33-22-8-3-2-7-20(22)24-25(37(33,34)35)23(21(14-31)26(32)36-24)18-9-11-19(12-10-18)27(28,29)30/h2-13,23H,15,32H2,1H3
InChiKey: DVRPRTALGOAVPG-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
Brugia malayi	hypothetical protein	0.0039	0.141	0.238
Loa Loa (eye worm)	beta-lactamase	0.0039	0.1411	0.2375
Brugia malayi	beta-lactamase family protein	0.0039	0.1411	0.2382
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.1411	0.268
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.1411	0.249
Loa Loa (eye worm)	RNA binding protein	0.0133	0.5266	1
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.5266	1
Echinococcus granulosus	cpg binding protein	0.0033	0.1161	0.2003
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.141	0.2678
Brugia malayi	hypothetical protein	0.0018	0.0538	0.0656
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1712	0.3075
Mycobacterium ulcerans	lipase LipD	0.0039	0.1411	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.5266	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1712	0.3075
Brugia malayi	beta-lactamase	0.0039	0.1411	0.2382
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.1411	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0933	0.1429
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0933	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.1411	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1411	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.1411	0.2375
Loa Loa (eye worm)	TAR-binding protein	0.0133	0.5266	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.1411	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1411	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0133	0.5266	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1712	0.3251
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.141	0.2487
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0933	0.5
Onchocerca volvulus		0.0039	0.1411	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1712	0.2976
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1712	0.3075
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.1411	1
Brugia malayi	hypothetical protein	0.0027	0.0933	0.1438
Schistosoma mansoni	hypothetical protein	0.0039	0.141	0.2678
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2375
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.2226	1
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.5266	1
Brugia malayi	beta-lactamase family protein	0.0039	0.1411	0.2382
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.2514	0.4774
Schistosoma mansoni	cpg binding protein	0.0033	0.1161	0.2205
Schistosoma mansoni	hypothetical protein	0.0012	0.0318	0.0604
Entamoeba histolytica	hypothetical protein	0.0039	0.141	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0133	0.5266	1
Mycobacterium leprae	Probable lipase LipE	0.0039	0.1411	0.5
Entamoeba histolytica	hypothetical protein	0.0039	0.141	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1712	0.3075
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.1411	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2375
Brugia malayi	RNA binding protein	0.0133	0.5266	1
Schistosoma mansoni	cpg binding protein	0.0033	0.1161	0.2205
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1712	0.2969
Echinococcus multilocularis	tar DNA binding protein	0.0133	0.5266	1
Trichomonas vaginalis	esterase, putative	0.0039	0.1411	1
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.5266	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0318	0.036
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1712	0.3251
Toxoplasma gondii	ABC1 family protein	0.0039	0.1411	0.3697
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.1411	0.2382
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.1411	0.249
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.1411	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2375
Brugia malayi	CXXC zinc finger family protein	0.0031	0.1089	0.1745
Entamoeba histolytica	hypothetical protein	0.0039	0.141	0.5
Leishmania major	hypothetical protein, conserved	0.0039	0.1411	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0211	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2375
Onchocerca volvulus		0.0039	0.1411	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1712	0.3251
Schistosoma mansoni	cpg binding protein	0.0031	0.1089	0.2068
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.1411	1
Echinococcus multilocularis	cpg binding protein	0.0033	0.1161	0.2003
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.1411	1
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.5266	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2375
Entamoeba histolytica	hypothetical protein	0.0039	0.141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2375
Brugia malayi	TAR-binding protein	0.0133	0.5266	1
Echinococcus granulosus	tar DNA binding protein	0.0133	0.5266	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0133	0.0253
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.1411	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0318	0.036
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.1089	0.1737
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0211	0.0151
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1411	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.141	0.2487
Mycobacterium ulcerans	hypothetical protein	0.0039	0.1411	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.1411	0.268
Onchocerca volvulus		0.0039	0.1411	1
Mycobacterium ulcerans	beta-lactamase	0.0039	0.1411	0.5

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 905644