TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 354.423 | Formula: C19H18N2O3S
H donors: 1 H acceptors: 1 LogP: 3.84 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(ccc(c1OC)OC)c1ccc2c(c1)Cc1c2nc(s1)N
InChi: 1S/C19H18N2O3S/c1-22-14-7-6-13(17(23-2)18(14)24-3)10-4-5-12-11(8-10)9-15-16(12)21-19(20)25-15/h4-8H,9H2,1-3H3,(H2,20,21)
InChiKey: UDECTSPTKRGECA-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
Echinococcus granulosus	tumor protein p63	0.0348	0.5427	0.5427
Toxoplasma gondii	hypothetical protein	0.005	0.0501	1
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.3932	0.4598
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0148	0.211	0.4357
Onchocerca volvulus		0.0051	0.0512	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0284	0.0284
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0284	0.0757
Schistosoma mansoni	hypothetical protein	0.0075	0.0915	0.107
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0512	0.0512
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0284	0.0757
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0394	0.0793
Leishmania major	hypothetical protein, conserved	0.0037	0.0284	0.0564
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.0299	0.0299
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0284	0.0332
Echinococcus multilocularis	tar DNA binding protein	0.0258	0.3932	0.3932
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0394	0.0793
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0758	0.1549
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.008	0.014
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0284	0.0757
Mycobacterium ulcerans	hypothetical protein	0.0164	0.2386	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0758	0.1549
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.1661	0.1661
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0394	0.0793
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.008	0.138
Entamoeba histolytica	hypothetical protein	0.0075	0.0915	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0284	0.0284
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0312	0.4827	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0284	0.0332
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0284	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.1323	0.1323
Echinococcus multilocularis	muscleblind protein	0.0625	1	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0284	0.0757
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0012	0.5
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0758	0.1549
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0284	0.0757
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.3932	0.4598
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0284	0.5
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0312	0.4827	1
Schistosoma mansoni	hypothetical protein	0.0537	0.8551	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0284	0.1143
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.1323	0.1323
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0284	0.0284
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0066	0.0758	0.0887
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0219	0.0219
Brugia malayi	hypothetical protein	0.0025	0.008	0.008
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0284	0.0284
Entamoeba histolytica	hypothetical protein	0.0075	0.0915	1
Echinococcus granulosus	muscleblind protein	0.0625	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0284	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0284	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0284	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0625	1	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0012	0.0012
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0284	0.0757
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0258	0.3932	0.3932
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.008	0.014
Onchocerca volvulus		0.0037	0.0284	0.5545
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0284	0.0284
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0284	1
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0066	0.0758	0.1549
Echinococcus multilocularis	muscleblind protein 1	0.0625	1	1
Echinococcus granulosus	tar DNA binding protein	0.0258	0.3932	0.3932
Schistosoma mansoni	ap endonuclease	0.0021	0.0012	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0284	0.0284
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0312	0.4827	1
Toxoplasma gondii	ABC1 family protein	0.0037	0.0284	0.5556
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.01	0.1323	0.1323
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0012	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0238	0.3597	1
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.3932	0.4598
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0066	0.0758	0.0758
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0012	0.0012
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0915	0.107
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0512	0.0598
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.1323	0.1323
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0219	0.0219
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0284	0.0284
Echinococcus multilocularis	tumor protein p63	0.0348	0.5427	0.5427
Schistosoma mansoni	ap endonuclease	0.0021	0.0012	0.0014
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.1661	0.1661
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0012	0.0012
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0066	0.0758	0.0758
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0066	0.0758	0.0758
Brugia malayi	MH2 domain containing protein	0.012	0.1661	0.1661
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0473	0.0473
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0148	0.211	0.4357
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0473	0.0473
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0284	0.0757
Brugia malayi	TAR-binding protein	0.0258	0.3932	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0625	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0473	0.0473
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.0394	0.0793
Echinococcus multilocularis	geminin	0.0537	0.8551	0.8551
Leishmania major	mitochondrial DNA polymerase beta	0.0312	0.4827	1
Brugia malayi	hypothetical protein	0.0075	0.0915	0.0915
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0284	0.0564
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0012	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.008	0.008
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0284	0.0284
Brugia malayi	RNA binding protein	0.0258	0.3932	0.3932
Onchocerca volvulus		0.0037	0.0284	0.5545
Entamoeba histolytica	hypothetical protein	0.0075	0.0915	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0066	0.0758	0.0758
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0915	0.0915
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.1323	0.1547
Onchocerca volvulus		0.0037	0.0284	0.5545
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0284	0.0564
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.008	0.014
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0284	0.0284
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0553	0.1122
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0284	0.1143
Brugia malayi	beta-lactamase	0.0037	0.0284	0.0284
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0284	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.3932	0.4598
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.01	0.1323	0.1323
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.1323	0.1547
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0284	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0284	0.0757
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.008	1
Mycobacterium ulcerans	lipase LipD	0.0037	0.0284	0.1143
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.1323	0.1323
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0284	0.0284
Leishmania major	hypothetical protein, conserved	0.0025	0.008	0.014
Brugia malayi	beta-lactamase family protein	0.0037	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0284	0.0284
Echinococcus granulosus	geminin	0.0537	0.8551	0.8551
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.008	0.2484
Brugia malayi	RNA recognition motif domain containing protein	0.0258	0.3932	0.3932
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0284	0.0757
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0066	0.0758	0.8266
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0164	0.2386	0.662
Loa Loa (eye worm)	RNA binding protein	0.0258	0.3932	0.3932
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0284	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0473	0.0473
Schistosoma mansoni	hypothetical protein	0.0033	0.0219	0.0256
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0284	0.1143
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.1323	0.1547
Schistosoma mansoni	hypothetical protein	0.0537	0.8551	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0915	0.0915
Loa Loa (eye worm)	TAR-binding protein	0.0258	0.3932	0.3932
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0284	0.0564
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0012	0.0012
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0148	0.211	0.4357
Trichomonas vaginalis	esterase, putative	0.0037	0.0284	1
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.3932	0.4598
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0284	0.1143
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.008	1
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.0299	0.0299
Entamoeba histolytica	hypothetical protein	0.0075	0.0915	1

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: CHEMBL1181777

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1156603