TDR Targets

Basic information

Technical information

TDR Targets ID: 1410534
Name: phenyl N-(1,1-dioxothiolan-3-yl)carbamate
MW: 255.29 | Formula: C11H13NO4S
H donors: 1 H acceptors: 3 LogP: 1.08 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Oc1ccccc1)NC1CCS(=O)(=O)C1
InChi: 1S/C11H13NO4S/c13-11(16-10-4-2-1-3-5-10)12-9-6-7-17(14,15)8-9/h1-5,9H,6-8H2,(H,12,13)
InChiKey: RYUKATRJFGVLCQ-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

N-(1,1-dioxo-3-thiolanyl)carbamic acid phenyl ester
N-(1,1-diketothiolan-3-yl)carbamic acid phenyl ester
Oprea1_026884
MLS000533650
phenyl (1,1-dioxidotetrahydro-3-thienyl)carbamate
SMR000141093

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	adam	0.0076	0.0025	0.0051
Echinococcus granulosus	integrin beta 2	0.1747	0.2066	0.4184
Trypanosoma brucei	carbonic anhydrase-like protein	0.0358	0.037	0.5
Loa Loa (eye worm)	hypothetical protein	0.2951	0.3536	0.3536
Echinococcus multilocularis	carbonic anhydrase	0.0168	0.0138	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0445	0.0477	0.0477
Echinococcus granulosus	fibrillin 2	0.0078	0.0027	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0138	0.0138
Trichomonas vaginalis	hypothetical protein	0.0076	0.0025	0.5
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0168	0.0138	0.0213
Giardia lamblia	High cysteine protein	0.0076	0.0025	0.5
Schistosoma mansoni	integrin alpha-ps	0.1248	0.1457	0.2254
Giardia lamblia	Tenascin precursor	0.0076	0.0025	0.5
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0168	0.0138	0.0213
Schistosoma mansoni	hypothetical protein	0.0632	0.0704	0.1089
Schistosoma mansoni	hypothetical protein	0.1149	0.1336	0.2067
Giardia lamblia	Tenascin-X	0.0076	0.0025	0.5
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0358	0.037	0.0572
Loa Loa (eye worm)	hypothetical protein	0.1248	0.1457	0.1457
Schistosoma mansoni	carbonic anhydrase	0.0168	0.0138	0.0213
Echinococcus multilocularis	carbonic anhydrase	0.0168	0.0138	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0025	0.0025
Brugia malayi	Matrixin family protein	0.0445	0.0477	0.0737
Onchocerca volvulus		0.0445	0.0477	0.4051
Echinococcus multilocularis	integrin beta 2	0.1747	0.2066	0.4184
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0362	0.0375	0.0375
Echinococcus multilocularis	fibrillin 2	0.0078	0.0027	0.0055
Echinococcus multilocularis	integrin alpha ps	0.2398	0.286	0.5791
Brugia malayi	Matrixin family protein	0.0445	0.0477	0.0737
Brugia malayi	Matrixin family protein	0.0445	0.0477	0.0737
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0358	0.037	0.5
Echinococcus multilocularis	integrin alpha ps	0.1149	0.1336	0.2705
Loa Loa (eye worm)	hypothetical protein	0.4199	0.506	0.506
Loa Loa (eye worm)	hypothetical protein	0.1149	0.1336	0.1336
Schistosoma mansoni	integrin alpha-ps	0.2398	0.286	0.4425
Schistosoma mansoni	integrin beta subunit	0.1389	0.1629	0.252
Loa Loa (eye worm)	hypothetical protein	0.0543	0.0595	0.0595
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0543	0.0595	0.5
Echinococcus multilocularis	protein jagged 2	0.0076	0.0025	0.0051
Brugia malayi	EGF-like domain containing protein	0.0076	0.0025	0.0039
Brugia malayi	hypothetical protein	0.0358	0.037	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0358	0.037	0.037
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0138	0.0138
Brugia malayi	Matrixin family protein	0.0445	0.0477	0.0737
Loa Loa (eye worm)	matrixin family protein	0.0988	0.1139	0.1139
Brugia malayi	Integrin beta pat-3 precursor	0.2359	0.2813	0.4352
Giardia lamblia	Tenascin-like	0.0076	0.0025	0.5
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0331	0.0337	0.0521
Schistosoma mansoni	carbonic anhydrase-related	0.0168	0.0138	0.0213
Schistosoma mansoni	hypothetical protein	0.0168	0.0138	0.0213
Trichomonas vaginalis	teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative	0.0076	0.0025	0.5
Giardia lamblia	Neurogenic locus Notch protein precursor	0.0076	0.0025	0.5
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0358	0.037	0.0572
Brugia malayi	Kelch motif family protein	0.0362	0.0375	0.058
Echinococcus granulosus	carbonic anhydrase	0.0168	0.0138	0.0279
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0168	0.0138	0.0138
Loa Loa (eye worm)	integrin beta-2	0.2359	0.2813	0.2813
Echinococcus granulosus	carbonic anhydrase II	0.0358	0.037	0.0749
Plasmodium falciparum	carbonic anhydrase	0.0168	0.0138	0.5
Mycobacterium leprae	PROBABLE HYDROLASE	0.0543	0.0595	0.5
Brugia malayi	EGF-like domain containing protein	0.0076	0.0025	0.0039
Schistosoma mansoni	carbonic anhydrase-related	0.0168	0.0138	0.0213
Echinococcus granulosus	integrin alpha ps	0.1149	0.1336	0.2705
Brugia malayi	Integrin alpha pat-2 precursor	0.5348	0.6463	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0358	0.037	0.5
Echinococcus granulosus	adam	0.0076	0.0025	0.0051
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0358	0.037	0.0572
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.4046	0.4873	0.7539
Giardia lamblia	Neurogenic locus notch-like protein	0.0076	0.0025	0.5
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0025	0.0025
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0543	0.0595	0.0921
Echinococcus multilocularis	integrin alpha 3	0.41	0.4939	1
Echinococcus multilocularis	carbonic anhydrase	0.0168	0.0138	0.0279
Brugia malayi	Matrixin family protein	0.1077	0.1248	0.1931
Loa Loa (eye worm)	hypothetical protein	0.0445	0.0477	0.0477
Loa Loa (eye worm)	carbonic anhydrase 3	0.0358	0.037	0.037
Brugia malayi	EGF-like domain containing protein	0.0076	0.0025	0.0039
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0445	0.0477	0.0737
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.162	0.191	0.3868
Brugia malayi	EGF-like domain containing protein	0.0076	0.0025	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0138	0.0138
Giardia lamblia	High cysteine protein	0.0076	0.0025	0.5
Onchocerca volvulus	Matrilysin homolog	0.0445	0.0477	0.4051
Mycobacterium ulcerans	hydrolase	0.0543	0.0595	0.5
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0168	0.0138	0.0213
Echinococcus multilocularis	fibrillin 1	0.0091	0.0044	0.0089
Echinococcus granulosus	integrin alpha 3	0.41	0.4939	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0358	0.037	0.0572
Loa Loa (eye worm)	matrix metalloproteinase	0.0445	0.0477	0.0477
Brugia malayi	Hemopexin family protein	0.0632	0.0704	0.1089
Schistosoma mansoni	carbonic anhydrase-related	0.0168	0.0138	0.0213
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0988	0.1139	1
Echinococcus granulosus	integrin alpha ps	0.2398	0.286	0.5791
Schistosoma mansoni	integrin alpha	0.5348	0.6463	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0168	0.0138	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0025	0.0025
Leishmania major	carbonic anhydrase-like protein	0.0358	0.037	0.5
Echinococcus granulosus	fibrillin 1	0.0078	0.0027	0.0055
Loa Loa (eye worm)	hypothetical protein	0.4046	0.4873	0.4873
Loa Loa (eye worm)	matrixin family protein	0.1077	0.1248	0.1248
Echinococcus granulosus	carbonic anhydrase	0.0168	0.0138	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0445	0.0477	0.0477
Echinococcus multilocularis	carbonic anhydrase II	0.0358	0.037	0.0749
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0168	0.0138	0.0213
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0358	0.037	0.037
Onchocerca volvulus		0.0632	0.0704	0.6092
Giardia lamblia	Tenascin-37	0.0076	0.0025	0.5
Echinococcus multilocularis	integrin alpha ps	0.2398	0.286	0.5791
Echinococcus granulosus	carbonic anhydrase	0.0168	0.0138	0.0279
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.162	0.191	0.3868
Onchocerca volvulus	Matrilysin homolog	0.0988	0.1139	1
Toxoplasma gondii	hypothetical protein	0.0168	0.0138	1
Giardia lamblia	hypothetical protein	0.0076	0.0025	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	26.6795 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1548365

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1410534