TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 468.63 | Formula: C22H32N2O5S2
H donors: 1 H acceptors: 3 LogP: 3.08 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COCCNS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C2)CC1=CC[C@@H](CC1)C(=C)C
InChi: 1S/C22H32N2O5S2/c1-15(2)17-7-5-16(6-8-17)13-24-11-9-18-19(14-24)30-22(20(18)21(25)29-4)31(26,27)23-10-12-28-3/h5,17,23H,1,6-14H2,2-4H3/t17-/m1/s1
InChiKey: IXYOWJMMSKKRHC-QGZVFWFLSA-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	steroid hormone receptor ad4bp	0.0011	0.125	0.125
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.3348	0.3348
Brugia malayi	nuclear hormone receptor	0.0011	0.125	0.125
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.3108	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.125	0.125
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.125	0.125
Loa Loa (eye worm)	hypothetical protein	0.0011	0.125	0.125
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.125	0.125
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.3348	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.125	0.125
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.3348	1
Toxoplasma gondii	exonuclease III APE	0.0018	0.3108	1
Schistosoma mansoni	ap endonuclease	0.0018	0.3108	0.3108
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.125	0.125
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.3348	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.125	0.125
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.125	0.125
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.3348	0.3348
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.3348	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.125	0.125
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.3348	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.125	0.125
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.125	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3348	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.3108	0.2124
Schistosoma mansoni	coup transcription factor	0.0011	0.125	0.125
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.3348	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.3348	1
Brugia malayi	steroid hormone receptor	0.0011	0.125	0.125
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.3348	0.3348
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.1841	0.55
Loa Loa (eye worm)	hypothetical protein	0.0011	0.125	0.125
Schistosoma mansoni	ap endonuclease	0.0018	0.3108	0.3108
Onchocerca volvulus		0.0011	0.125	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	1	1
Schistosoma mansoni	DNA polymerase eta	0.0019	0.3348	0.3348
Trypanosoma brucei	unspecified product	0.0019	0.3348	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.125	0.125
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.125	0.125
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.125	0.125
Trypanosoma brucei	unspecified product	0.0013	0.1841	0.55
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3348	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.1841	0.55
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.125	0.125
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.125	0.125
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3348	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.125	0.125
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.3108	0.3108
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.3108	0.5
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.3108	0.5
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.3348	1
Leishmania major	DNA polymerase eta, putative	0.0019	0.3348	1
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.125	0.125
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.3108	0.9284
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.125	0.125
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.3348	0.2398
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.125	0.125
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.3348	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3348	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.3348	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.1841	0.55
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.3108	0.9284
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.3348	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.3348	0.3348
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.3108	0.9284
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.125	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.125	0.125
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.3108	0.3108
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.125	0.125
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3348	1
Leishmania major	DNA polymerase kappa, putative	0.0019	0.3348	1
Echinococcus granulosus	dna polymerase eta	0.0019	0.3348	0.2398
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.3348	0.3348
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.125	0.125
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.3348	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3348	1
Echinococcus multilocularis	dna polymerase eta	0.0019	0.3348	0.2398
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.125	0.125
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.125	0.125
Giardia lamblia	DINP protein human, muc B family	0.0019	0.3348	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.3348	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3348	1
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.125	0.125
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	1	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.3108	0.2124
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.125	0.125
Trypanosoma brucei	unspecified product	0.0013	0.1841	0.55
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.125	0.125
Loa Loa (eye worm)	hypothetical protein	0.0019	0.3348	0.3348
Loa Loa (eye worm)	hypothetical protein	0.0011	0.125	0.125
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.3348	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.125	0.125
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.3108	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.125	0.125
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.3348	1
Echinococcus granulosus	dna polymerase kappa	0.0019	0.3348	0.2398
Brugia malayi	nuclear receptor NHR-88	0.0011	0.125	0.125
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.125	0.125
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.125	0.125
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.125	0.125
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.125	0.125
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.3108	0.9284
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.125	0.125
Brugia malayi	ecdysteroid receptor	0.0011	0.125	0.125
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.125	0.125
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.3108	0.9284
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.125	0.125
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.125	0.125
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.125	0.125
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.3348	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3348	1
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.3348	0.2398
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.3348	0.2398
Loa Loa (eye worm)	hypothetical protein	0.0011	0.125	0.125
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.125	0.125
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.125	0.5
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.3348	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3348	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.125	0.125
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.3348	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.3108	0.9284

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 814749