TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 367.46 | Formula: C18H25NO5S
H donors: 0 H acceptors: 3 LogP: 2.75 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C[C@@H]1OC2C(N1S(=O)(=O)c1ccc(cc1)C)CCCC2
InChi: 1S/C18H25NO5S/c1-3-23-18(20)12-17-19(15-6-4-5-7-16(15)24-17)25(21,22)14-10-8-13(2)9-11-14/h8-11,15-17H,3-7,12H2,1-2H3/t15?,16?,17-/m0/s1
InChiKey: JRDPYMUGXIWUEZ-JCYILVPMSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cytochrome P450, putative	0.0061	0.178	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.0109	0.0224
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.0109	0.5
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.0109	0.0109
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0405	0.083
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.0109	0.0224
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0025	0.0267	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0027	0.036	0.0738
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0025	0.0267	0.0947
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0025	0.0267	0.0947
Brugia malayi	Cytochrome P450 family protein	0.0045	0.1089	0.1089
Loa Loa (eye worm)	RNA binding protein	0.0133	0.4879	0.4879
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0199	0.7681	0.7681
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.1054	0.1054
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1757	0.1757
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0133	0.4879	0.4879
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.0109	0.5
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0025	0.0267	1
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0025	0.0267	0.0947
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0025	0.0267	0.0947
Onchocerca volvulus		0.0226	0.8854	1
Schistosoma mansoni	ap endonuclease	0.0022	0.0109	0.0224
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0025	0.0267	0.5348
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0025	0.0267	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0405	0.083
Echinococcus multilocularis	tar DNA binding protein	0.0133	0.4879	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1054	0.216
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0025	0.0267	0.0947
Brugia malayi	TAR-binding protein	0.0133	0.4879	0.4879
Echinococcus multilocularis		0.0025	0.0267	0.0548
Plasmodium vivax	SET domain protein, putative	0.0029	0.0405	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0405	0.0405
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.4879	1
Mycobacterium leprae	Conserved hypothetical protein	0.0025	0.0267	0.5
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0025	0.0267	0.0947
Loa Loa (eye worm)	cytochrome P450 family protein	0.0061	0.178	0.178
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.4879	1
Brugia malayi	Cytochrome P450 family protein	0.0061	0.178	0.178
Brugia malayi	Cytochrome P450 family protein	0.0061	0.178	0.178
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1757	0.1757
Schistosoma mansoni	cytochrome P450	0.0025	0.0267	0.0548
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0025	0.0267	0.0947
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0025	0.0267	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0114	0.4059	0.4059
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0025	0.0267	1
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0267	0.0267
Leishmania major	cytochrome p450-like protein	0.0061	0.178	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1054	0.216
Loa Loa (eye worm)	transcription factor SMAD2	0.0114	0.4059	0.4059
Loa Loa (eye worm)	cytochrome P450 family protein	0.0045	0.1089	0.1089
Schistosoma mansoni	ap endonuclease	0.0022	0.0109	0.0224
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0253	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0025	0.0267	1
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0025	0.0267	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0025	0.0267	0.0947
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0944	0.0944
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0025	0.0267	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1757	0.1757
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0025	0.0267	1
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0025	0.0267	0.0947
Loa Loa (eye worm)	CYP4Cod1	0.0061	0.178	0.178
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0025	0.0267	0.0947
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0025	0.0267	0.0947
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0025	0.0267	0.0947
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0405	0.083
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0025	0.0267	1
Brugia malayi	cytochrome P450	0.0025	0.0267	0.0267
Echinococcus granulosus	cytochrome P450 2K1	0.0025	0.0267	0.0548
Loa Loa (eye worm)	cytochrome P450	0.0025	0.0267	0.0267
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1054	0.216
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0405	0.083
Loa Loa (eye worm)	cytochrome P450 family protein	0.0061	0.178	0.178
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0061	0.178	1
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0025	0.0267	1
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.4879	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1054	0.216
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0405	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0025	0.0267	1
Echinococcus granulosus	tar DNA binding protein	0.0133	0.4879	1
Trypanosoma brucei	cytochrome P450, putative	0.0061	0.178	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.0109	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0025	0.0267	1
Mycobacterium leprae	putative cytochrome p450	0.0025	0.0267	0.5
Schistosoma mansoni	hypothetical protein	0.0041	0.0944	0.1934
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0025	0.0267	1
Trichomonas vaginalis	set domain proteins, putative	0.0226	0.8854	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0405	0.083
Brugia malayi	MH2 domain containing protein	0.0114	0.4059	0.4059
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.4879	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0405	0.083
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0025	0.0267	0.0947
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0025	0.0267	0.0947
Brugia malayi	RNA binding protein	0.0133	0.4879	0.4879
Leishmania major	cytochrome p450-like protein	0.0025	0.0267	0.0947
Loa Loa (eye worm)	TAR-binding protein	0.0133	0.4879	0.4879
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0944	0.0944
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0025	0.0267	0.0947
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0025	0.0267	0.0947
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0025	0.0267	1
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0025	0.0267	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0025	0.0267	1
Leishmania major	cytochrome p450-like protein	0.0025	0.0267	0.0947
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0109	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0025	0.0267	0.0947
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0405	0.083
Brugia malayi	Pre-SET motif family protein	0.0029	0.0405	0.0405
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0025	0.0267	0.0947
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0025	0.0267	0.0947
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0025	0.0267	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.1757	0.1757
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1054	0.216
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0.0109	0.5
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0025	0.0267	0.0947
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.4879	1
Brugia malayi	Pre-SET motif family protein	0.0199	0.7681	0.7681
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1054	0.216
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0025	0.0267	0.0947
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0025	0.0267	0.0947
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.1054	0.1054
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0025	0.0267	0.0947
Schistosoma mansoni	hypothetical protein	0.0025	0.0267	0.0548
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0025	0.0267	0.0947
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0025	0.0267	1
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0025	0.0267	0.0947
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1054	0.216
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0699	0.0699
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0025	0.0267	1
Brugia malayi	RNA recognition motif domain containing protein	0.0133	0.4879	0.4879
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.0109	0.0109
Trypanosoma cruzi	cytochrome P450, putative	0.0061	0.178	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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: CHEMBL2136216

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1708660