TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 255.333 | Formula: C12H17NO3S
H donors: 2 H acceptors: 3 LogP: 0.18 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: NC1CCCc2c(C1O)cc(cc2)S(=O)(=O)C
InChi: 1S/C12H17NO3S/c1-17(15,16)9-6-5-8-3-2-4-11(13)12(14)10(8)7-9/h5-7,11-12,14H,2-4,13H2,1H3
InChiKey: ZLOPCFMMJFANRR-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	polycomb protein SCMH1	0.0048	0.0057	0.0125
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0031	0.0068
Loa Loa (eye worm)	hypothetical protein	0.005	0.0079	0.0079
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0115	0.0524
Echinococcus granulosus	acetylcholinesterase	0.0131	0.0793	0.174
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.0115	0.0169
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.0041	0	0.5
Brugia malayi	Matrixin family protein	0.0057	0.0138	0.0138
Loa Loa (eye worm)	acetylcholinesterase 1	0.0131	0.0793	0.0793
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.0057	0.0125
Trypanosoma cruzi	C-14 sterol reductase, putative	0.0097	0.049	0.049
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0172	0.0378
Trypanosoma brucei	sterol 24-c-methyltransferase, putative	0.0202	0.142	0.142
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0172	0.0782
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.1172	1	1
Schistosoma mansoni	hypothetical protein	0.0171	0.1143	0.5193
Loa Loa (eye worm)	hypothetical protein	0.0599	0.4933	0.4933
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0115	0.0115
Trypanosoma brucei	C-14 sterol reductase, putative	0.0097	0.049	0.049
Trypanosoma cruzi	3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative	0.0292	0.2216	0.2216
Trypanosoma brucei	C-8 sterol isomerase, putative	0.1172	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0131	0.0793	0.3604
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0031	0.0031
Loa Loa (eye worm)	matrix metalloproteinase	0.0057	0.0138	0.0138
Trypanosoma brucei	Emopamil binding protein, putative	0.0292	0.2216	0.2216
Trypanosoma cruzi	Emopamil binding protein, putative	0.0292	0.2216	0.2216
Brugia malayi	Pre-SET motif family protein	0.0204	0.1437	0.1437
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0115	0.0169
Trypanosoma brucei	Sterol methyltransferase, putative	0.0387	0.3057	0.3057
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0031	0.0141
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0112	0.0628	0.0628
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0188	0.1298	0.2847
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0112	0.0628	0.0628
Echinococcus multilocularis	lamin b receptor	0.0097	0.049	0.0719
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0298	0.2271	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0793	0.0793
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0215	0.1537	0.1537
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0031	0.0141
Echinococcus multilocularis	acetylcholinesterase	0.0131	0.0793	0.1165
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.0057	0.0057
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0115	0.0253
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.0057	0.0084
Brugia malayi	Matrixin family protein	0.0057	0.0138	0.0138
Brugia malayi	Carboxylesterase family protein	0.0131	0.0793	0.0793
Leishmania major	lanosterol synthase, putative	0.0458	0.3682	0.3682
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0215	0.1537	0.6852
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0793	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0115	0.0115
Echinococcus granulosus	tm gpcr rhodopsin	0.0557	0.4558	1
Trypanosoma cruzi	3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative	0.0292	0.2216	0.2216
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0069	0.0247	0.0357
Trypanosoma cruzi	lanosterol synthase, putative	0.0499	0.4047	0.4047
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0057	0.0138	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0189	0.1303	0.1303
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.0041	0	0.5
Loa Loa (eye worm)	carboxylesterase	0.0131	0.0793	0.0793
Echinococcus granulosus	acetylcholinesterase	0.0131	0.0793	0.174
Onchocerca volvulus		0.0057	0.0138	0.0373
Brugia malayi	mbt repeat family protein	0.0048	0.0057	0.0057
Schistosoma mansoni	Lamin B receptor (ERG24)	0.0097	0.049	0.2226
Brugia malayi	Matrixin family protein	0.0057	0.0138	0.0138
Schistosoma mansoni	hypothetical protein	0.0081	0.0348	0.158
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0138	0.0138
Echinococcus granulosus	carbonic anhydrase II	0.0112	0.0628	0.1379
Trypanosoma cruzi	lanosterol synthase, putative	0.0499	0.4047	0.4047
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.0057	0.0259
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0057	0.0259
Echinococcus granulosus	geminin	0.0171	0.1143	0.2507
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0057	0.0057
Trypanosoma cruzi	Emopamil binding protein, putative	0.0292	0.2216	0.2216
Trypanosoma cruzi	sterol 24-c-methyltransferase, putative	0.0387	0.3057	0.3057
Trypanosoma cruzi	sterol C-24 reductase, putative	0.005	0.0079	0.0079
Loa Loa (eye worm)	carbonic anhydrase 3	0.0112	0.0628	0.0628
Echinococcus multilocularis	geminin	0.0171	0.1143	0.1678
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.1437	0.1437
Brugia malayi	mbt repeat family protein	0.0048	0.0057	0.0057
Leishmania major	sterol 24-c-methyltransferase, putative	0.0387	0.3057	0.3057
Onchocerca volvulus	Matrilysin homolog	0.0126	0.075	0.3208
Brugia malayi	Hemopexin family protein	0.0081	0.0348	0.0348
Trypanosoma brucei	sterol 24-c-methyltransferase, putative	0.0387	0.3057	0.3057
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0112	0.0628	0.2856
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.0041	0	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0172	0.0253
Schistosoma mansoni	hypothetical protein	0.029	0.22	1
Leishmania major	carbonic anhydrase-like protein	0.0112	0.0628	0.0628
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0112	0.0628	0.0628
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0069	0.0247	0.0247
Brugia malayi	Matrixin family protein	0.0057	0.0138	0.0138
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0215	0.1537	0.2257
Brugia malayi	Matrixin family protein	0.0137	0.085	0.085
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0557	0.4558	0.6694
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0115	0.0253
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.0057	0.0084
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0126	0.075	0.3208
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0811	0.6809	1
Loa Loa (eye worm)	matrixin family protein	0.0126	0.075	0.075
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0031	0.0141
Trypanosoma cruzi	sterol C-24 reductase, putative	0.005	0.0079	0.0079
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0031	0.0045
Trypanosoma cruzi	sterol 24-c-methyltransferase, putative	0.0387	0.3057	0.3057
Brugia malayi	S-adenosyl-methionine cycloartenol-C24-methyltransferase	0.0189	0.1303	0.1303
Plasmodium vivax	geranylgeranyl transferase type2 beta subunit, putative	0.0041	0	0.5
Schistosoma mansoni	vesicular acetylcholine transporter	0.0215	0.1537	0.6983
Trypanosoma brucei	carbonic anhydrase-like protein	0.0112	0.0628	0.0628
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0215	0.1537	0.1537
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0112	0.0628	0.0628
Onchocerca volvulus		0.0081	0.0348	0.1346
Onchocerca volvulus		0.0292	0.2216	1
Leishmania major	sterol C-24 reductase, putative	0.005	0.0079	0.0079
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0172	0.0782
Onchocerca volvulus	Matrilysin homolog	0.0057	0.0138	0.0373
Schistosoma mansoni	hypothetical protein	0.0171	0.1143	0.5193
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0112	0.0628	0.2856
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0172	0.0172
Trypanosoma brucei	sterol 24-c-methyltransferase, putative	0.0387	0.3057	0.3057
Echinococcus granulosus	carboxylesterase 5A	0.0131	0.0793	0.174
Echinococcus multilocularis	carbonic anhydrase II	0.0112	0.0628	0.0923
Brugia malayi	Carboxylesterase family protein	0.0131	0.0793	0.0793
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0172	1
Plasmodium vivax	geranylgeranyltransferase, putative	0.0041	0	0.5
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0207	0.1462	0.2148
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0031	0.0068
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0031	0.0045
Trypanosoma cruzi	C-14 sterol reductase, putative	0.0097	0.049	0.049
Leishmania major	hypothetical protein, conserved	0.0292	0.2216	0.2216
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.1686	1
Mycobacterium ulcerans	hydrolase	0.0069	0.0247	1
Giardia lamblia	Prenyltransferase	0.0041	0	0.5
Leishmania major	C-8 sterol isomerase-like protein	0.1172	1	1
Echinococcus granulosus	vesicular acetylcholine transporter	0.0215	0.1537	0.3371
Mycobacterium leprae	PROBABLE HYDROLASE	0.0069	0.0247	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0138	0.0138
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0188	0.1298	0.1906
Plasmodium falciparum	geranylgeranyltransferase, putative	0.0041	0	0.5
Loa Loa (eye worm)	MBCTL1	0.0054	0.0115	0.0115
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0207	0.1462	0.3208
Loa Loa (eye worm)	hypothetical protein	0.1172	1	1
Loa Loa (eye worm)	matrixin family protein	0.0137	0.085	0.085
Giardia lamblia	Rab geranylgeranyltransferase	0.0041	0	0.5
Trypanosoma cruzi	sterol 24-c-methyltransferase, putative	0.0387	0.3057	0.3057
Trypanosoma brucei	lanosterol synthase	0.0499	0.4047	0.4047
Onchocerca volvulus		0.0232	0.1686	0.7543
Plasmodium falciparum	geranylgeranyl transferase type2 beta subunit, putative	0.0041	0	0.5
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.0041	0	0.5
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0057	0.0259
Leishmania major	C-14 sterol reductase, putative	0.0097	0.049	0.049
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.0041	0	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0031	0.0031
Leishmania major	3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative	0.0292	0.2216	0.2216
Leishmania major	sterol 24-c-methyltransferase, putative	0.0387	0.3057	0.3057
Echinococcus multilocularis	carboxylesterase 5A	0.0131	0.0793	0.1165
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0112	0.0628	0.0628
Echinococcus multilocularis	acetylcholinesterase	0.0131	0.0793	0.1165
Echinococcus granulosus	lamin b receptor	0.0097	0.049	0.1075

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibitory response (functional)	= 5 %	Antiinflammatory activity in rats by using reverse passive Arthus reaction (RPAR) assay at dose level of 50 mg/Kg by peroral administration	ChEMBL.	6606708

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 150548