TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 408.513 | Formula: C23H24N2O3S
H donors: 1 H acceptors: 2 LogP: 3.2 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CCC(=O)N1CCc2c(C1c1ccc(cc1)SC)[nH]c1c2cccc1
InChi: 1S/C23H24N2O3S/c1-28-21(27)12-11-20(26)25-14-13-18-17-5-3-4-6-19(17)24-22(18)23(25)15-7-9-16(29-2)10-8-15/h3-10,23-24H,11-14H2,1-2H3
InChiKey: ZWHGNFCAPZSDEV-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
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.006	0.126	0.4166
Schistosoma mansoni	hypothetical protein	0.017	0.4921	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.006	0.126	0.5
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0152	0.434	0.4305
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0308	0.0373
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.014	0.3941	0.8009
Leishmania major	hypothetical protein, conserved	0.005	0.0916	0.0859
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.014	0.3941	0.5879
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0024	0.0062	0.0127
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0055	0.1097	0.1041
Plasmodium vivax	SET domain protein, putative	0.0032	0.0317	0.2128
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0916	0.0859
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0152	0.434	0.4305
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1509	0.3066
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1509	0.3066
Onchocerca volvulus		0.0032	0.0317	0.0242
Brugia malayi	RNA binding protein	0.0068	0.1509	0.2193
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0308	0.0627
Echinococcus multilocularis	lamin dm0	0.0026	0.0135	0.0274
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0308	0.0627
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.014	0.3941	0.8009
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.014	0.3941	0.8009
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0322	1	1
Echinococcus multilocularis	musashi	0.0026	0.0135	0.0274
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.3941	0.8009
Mycobacterium tuberculosis	Conserved hypothetical protein	0.017	0.4915	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.006	0.126	0.1816
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0135	0.011
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.1509	0.2193
Schistosoma mansoni	lamin	0.0026	0.0135	0.0274
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0308	0.0627
Schistosoma mansoni	ap endonuclease	0.006	0.126	0.2561
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0024	0.0062	0.0127
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.1509	0.2193
Brugia malayi	hypothetical protein	0.011	0.2938	0.4358
Echinococcus granulosus	geminin	0.017	0.4921	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0317	0.0645
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1531	0.2226
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0024	0.0062	0.0127
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0916	0.7125
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.006	0.126	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0322	1	1
Brugia malayi	intermediate filament protein	0.0026	0.0135	0.011
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0222	0.666	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0317	0.0645
Loa Loa (eye worm)	RNA binding protein	0.0068	0.1509	0.2193
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.2584	0.3822
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.014	0.3941	0.8009
Entamoeba histolytica	hypothetical protein	0.011	0.2938	1
Toxoplasma gondii	exonuclease III APE	0.006	0.126	1
Onchocerca volvulus		0.0253	0.7683	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.2584	0.3822
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.1509	0.3066
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.014	0.3941	0.5879
Brugia malayi	TAR-binding protein	0.0068	0.1509	0.2193
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0308	0.0627
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0045	0.0766	0.0708
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0317	0.2128
Schistosoma mansoni	lamin	0.0026	0.0135	0.0274
Schistosoma mansoni	hypothetical protein	0.0068	0.1531	0.3111
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.006	0.126	1
Trichomonas vaginalis	set domain proteins, putative	0.0253	0.7683	1
Entamoeba histolytica	hypothetical protein	0.011	0.2938	1
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0024	0.0062	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0308	0.0373
Trichomonas vaginalis	ap endonuclease, putative	0.006	0.126	0.1572
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.006	0.126	1
Schistosoma mansoni	ap endonuclease	0.006	0.126	0.2561
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1509	0.3066
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.3941	0.8009
Trichomonas vaginalis	ap endonuclease, putative	0.006	0.126	0.1572
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0308	0.0373
Mycobacterium ulcerans	hypothetical protein	0.017	0.4915	1
Plasmodium vivax	ataxin-2 like protein, putative	0.005	0.0916	0.7125
Schistosoma mansoni	hypothetical protein	0.0032	0.0308	0.0627
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.011	0.2938	0.597
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0135	0.011
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1509	0.3066
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0308	0.0373
Brugia malayi	hypothetical protein	0.0032	0.0327	0.0402
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.006	0.126	0.2561
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0135	0.011
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.006	0.126	0.1205
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.3941	0.8009
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0317	0.0645
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0317	0.0645
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.011	0.2938	0.597
Echinococcus multilocularis	geminin	0.017	0.4921	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.006	0.126	0.5
Echinococcus granulosus	tar DNA binding protein	0.0068	0.1509	0.3066
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0135	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0135	0.011
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.2584	0.3822
Schistosoma mansoni	hypothetical protein	0.0032	0.0308	0.0627
Entamoeba histolytica	hypothetical protein	0.011	0.2938	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.006	0.126	0.1205
Echinococcus granulosus	intermediate filament protein	0.0026	0.0135	0.0274
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1509	0.3066
Toxoplasma gondii	LsmAD domain-containing protein	0.005	0.0916	0.7125
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0152	0.434	0.4305
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.006	0.126	0.1205
Trypanosoma brucei	PAB1-binding protein , putative	0.005	0.0916	0.0859
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.006	0.126	0.1205
Schistosoma mansoni	hypothetical protein	0.0032	0.0308	0.0627
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0317	0.0645
Echinococcus granulosus	lamin dm0	0.0026	0.0135	0.0274
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.006	0.126	0.2561
Echinococcus multilocularis	lamin	0.0026	0.0135	0.0274
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0916	0.0859
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0308	0.0627
Loa Loa (eye worm)	hypothetical protein	0.005	0.0916	0.1294
Brugia malayi	exodeoxyribonuclease III family protein	0.006	0.126	0.1816
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0317	0.0645
Brugia malayi	Pre-SET motif family protein	0.0032	0.0317	0.0386
Echinococcus granulosus	lamin	0.0026	0.0135	0.0274
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.1509	0.2193
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.0766	0.0708
Echinococcus granulosus	GPCR family 2	0.0032	0.0308	0.0627
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.0766	0.0708
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0278	0.0565
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0317	0.0645
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0317	0.0386
Loa Loa (eye worm)	hypothetical protein	0.01	0.2584	0.3822
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0024	0.0062	0.0127
Entamoeba histolytica	hypothetical protein	0.011	0.2938	1
Toxoplasma gondii	hypothetical protein	0.0052	0.0988	0.7729
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0322	1	1
Schistosoma mansoni	hypothetical protein	0.017	0.4921	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.1531	0.2226
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0916	0.7125
Brugia malayi	Pre-SET motif family protein	0.0222	0.666	1
Schistosoma mansoni	transcription factor LCR-F1	0.011	0.2938	0.597
Schistosoma mansoni	hypothetical protein	0.0032	0.0308	0.0627
Brugia malayi	hypothetical protein	0.005	0.0916	0.1294
Schistosoma mansoni	hypothetical protein	0.011	0.2938	0.597
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0045	0.0766	0.0708
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0119	0.0085

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 755446