TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.388 | Formula: C16H16N4O3S
H donors: 1 H acceptors: 3 LogP: 0.7 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1scc(n1)COCc1oc2c(n1)CN(C2)C(=O)c1[nH]ccc1
InChi: 1S/C16H16N4O3S/c1-10-18-11(9-24-10)7-22-8-15-19-13-5-20(6-14(13)23-15)16(21)12-3-2-4-17-12/h2-4,9,17H,5-8H2,1H3
InChiKey: IBSRJTUWHKCJHU-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
Toxoplasma gondii	exonuclease III APE	0.0019	0.0212	0.5
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0212	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0664	0.1287
Schistosoma mansoni	ap endonuclease	0.0019	0.0212	0.0343
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.6183	0.61
Echinococcus granulosus	GPCR family 2	0.0032	0.1754	0.3398
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.3471	0.6727
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.516	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1754	0.1754
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0212	0.0411
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.1754	0.3398
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0212	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.2284	0.4427
Brugia malayi	Bromodomain containing protein	0.0077	0.7011	0.6946
Schistosoma mansoni	hypothetical protein	0.0032	0.1754	0.2836
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.3471	0.6727
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0664	0.1287
Echinococcus multilocularis	zinc finger protein	0.002	0.0305	0.0592
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0212	0.5
Schistosoma mansoni	hypothetical protein	0.0021	0.0433	0.0701
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.1754	0.3398
Loa Loa (eye worm)	hypothetical protein	0.0102	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.3471	0.5614
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.1754	0.3398
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.1754	0.3398
Loa Loa (eye worm)	hypothetical protein	0.0072	0.6494	0.6494
Schistosoma mansoni	hypothetical protein	0.0032	0.1754	0.2836
Schistosoma mansoni	ap endonuclease	0.0019	0.0212	0.0343
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0212	0.5
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0212	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.1754	0.1575
Schistosoma mansoni	hypothetical protein	0.0032	0.1754	0.2836
Echinococcus multilocularis	GPCR, family 2	0.0032	0.1754	0.3398
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.3471	0.333
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0664	0.1074
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0074	0.0074
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.3471	0.6727
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0212	0.5
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0212	0.5
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0212	0.5
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.007	0.6183	0.6183
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0212	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.2866	0.2866
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0212	0.5
Schistosoma mansoni	hypothetical protein	0.0032	0.1754	0.2836
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0212	0.5
Schistosoma mansoni	hypothetical protein	0.007	0.6183	1
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.1754	0.1575
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0212	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.3471	0.3471
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.3471	0.5614
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2579	0.2579
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0212	0.0411
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.1754	0.1754
Loa Loa (eye worm)	hypothetical protein	0.0044	0.3097	0.3097
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0212	0.5
Brugia malayi	PHD-finger family protein	0.0025	0.0951	0.0755
Schistosoma mansoni	bromodomain containing protein	0.0065	0.5593	0.9046
Schistosoma mansoni	zinc finger protein	0.002	0.0305	0.0494
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.3471	0.6727
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0433	0.0433
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.516	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.3471	0.5614
Brugia malayi	Bromodomain containing protein	0.0039	0.2571	0.241
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.2284	0.4427
Echinococcus granulosus	zinc finger protein	0.002	0.0305	0.0592
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0212	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

ChEMBL: CHEMBL3554488

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1174657