TDR Targets

Basic information

Technical information

TDR Targets ID: 883390
Name: 7-[(Z)-3-chlorobut-2-enyl]-8-[2-(4-chlorophen yl)-2-oxoethyl]sulfanyl-3-methylpurine-2,6-di one
MW: 439.316 | Formula: C18H16Cl2N4O3S
H donors: 1 H acceptors: 4 LogP: 3.67 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C/C(=C/Cn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=O)n2C)/Cl
InChi: 1S/C18H16Cl2N4O3S/c1-10(19)7-8-24-14-15(23(2)17(27)22-16(14)26)21-18(24)28-9-13(25)11-3-5-12(20)6-4-11/h3-7H,8-9H2,1-2H3,(H,22,26,27)/b10-7-
InChiKey: LONQDWKHLNBFRM-YFHOEESVSA-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

7-[(Z)-3-chlorobut-2-enyl]-8-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-purine-2,6-dione
7-[(Z)-3-chlorobut-2-enyl]-8-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-methylpurine-2,6-dione
7-[(Z)-3-chlorobut-2-enyl]-8-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-methyl-xanthine

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	cytoplasmic intermediate filament protein	0.0014	0.2574	0.2574
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1725	0.1725
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Onchocerca volvulus		0.0025	0.9182	0.9182
Schistosoma mansoni	intermediate filament proteins	0.0027	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0025	0.9182	0.9182
Brugia malayi	Animal haem peroxidase family protein	0.0025	0.9182	0.9182
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.2574	0.2574
Brugia malayi	Cytochrome P450 family protein	0.002	0.5662	0.5662
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.002	0.5662	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0025	0.9182	0.9182
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0465	0.0465
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.1725	0.1725
Schistosoma mansoni	lamin	0.0027	1	1
Loa Loa (eye worm)	cytochrome P450	0.0011	0.0465	0.0465
Echinococcus multilocularis	peroxidasin	0.0025	0.9182	0.9182
Onchocerca volvulus	Peroxidase homolog	0.0025	0.9182	0.9182
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1432	0.1432
Loa Loa (eye worm)	animal heme peroxidase	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0011	0.0465	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0011	0.0465	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1432	0.1432
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	1	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0025	0.9182	0.9182
Echinococcus multilocularis	lamin dm0	0.0027	1	1
Loa Loa (eye worm)	CYP4Cod1	0.002	0.5662	0.5662
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0011	0.0465	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0011	0.0465	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0011	0.0465	0.5
Echinococcus granulosus	lamin	0.0027	1	1
Echinococcus granulosus	cytochrome P450 2K1	0.0011	0.0465	0.0465
Onchocerca volvulus	Peroxidase homolog	0.0025	0.9182	0.9182
Leishmania major	cytochrome p450-like protein	0.002	0.5662	1
Onchocerca volvulus	Dual oxidase homolog	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0011	0.0465	0.5
Brugia malayi	Peroxidasin	0.0025	0.9182	0.9182
Brugia malayi	cytochrome P450	0.0011	0.0465	0.0465
Brugia malayi	Blistered cuticle protein 3	0.0025	0.9182	0.9182
Brugia malayi	Animal haem peroxidase family protein	0.0025	0.9182	0.9182
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.5662	0.5662
Echinococcus multilocularis		0.0011	0.0465	0.0465
Brugia malayi	hypothetical protein	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0011	0.0465	0.5
Echinococcus granulosus	peroxidasin	0.0025	0.9182	0.9182
Echinococcus granulosus	intermediate filament protein	0.0027	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0011	0.0465	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0011	0.0465	0.5
Brugia malayi	Cytochrome P450 family protein	0.002	0.5662	0.5662
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0011	0.0465	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0011	0.0465	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0025	0.9182	0.9182
Loa Loa (eye worm)	hypothetical protein	0.0027	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0011	0.0465	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Trypanosoma brucei	cytochrome P450, putative	0.002	0.5662	1
Loa Loa (eye worm)	animal heme peroxidase	0.0025	0.9182	0.9182
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0011	0.0465	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.002	0.5662	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0011	0.0465	0.5
Schistosoma mansoni	lamin	0.0027	1	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0011	0.0465	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Mycobacterium leprae	putative cytochrome p450	0.0011	0.0465	0.5
Schistosoma mansoni	peroxidasin	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0011	0.0465	0.5
Echinococcus multilocularis	lamin	0.0027	1	1
Onchocerca volvulus		0.0027	1	1
Loa Loa (eye worm)	intermediate filament protein	0.0027	1	1
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0465	0.0465
Schistosoma mansoni	cytochrome P450	0.0011	0.0465	0.0465
Loa Loa (eye worm)	cytochrome P450 family protein	0.0011	0.0465	0.0465
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.5662	0.5662
Loa Loa (eye worm)	animal heme peroxidase	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0011	0.0465	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0011	0.0465	0.5
Echinococcus granulosus	lamin dm0	0.0027	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Brugia malayi	Animal haem peroxidase family protein	0.0025	0.9182	0.9182
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0011	0.0465	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0025	0.9182	0.9182
Schistosoma mansoni	hypothetical protein	0.0011	0.0465	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Echinococcus multilocularis	musashi	0.0027	1	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.1725	0.1725
Trypanosoma cruzi	cytochrome P450, putative	0.002	0.5662	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.9707	0.9707
Onchocerca volvulus		0.0025	0.9182	0.9182
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Onchocerca volvulus		0.0025	0.9182	0.9182
Onchocerca volvulus		0.0027	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0011	0.0465	0.5
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0011	0.0465	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0025	0.9182	0.9182
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0011	0.0465	0.5
Schistosoma mansoni	peroxidasin	0.0025	0.9182	0.9182
Loa Loa (eye worm)	hypothetical protein	0.0025	0.9182	0.9182

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 883390