TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 225.307 | Formula: C11H15NO2S
H donors: 1 H acceptors: 1 LogP: 1.55 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C(C(Cc1ccccc1)N)S
InChi: 1S/C11H15NO2S/c1-14-11(13)10(15)9(12)7-8-5-3-2-4-6-8/h2-6,9-10,15H,7,12H2,1H3
InChiKey: WMMVNZUCJUTYBR-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
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0082	0.0213
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0001	0.0004
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0001	0.0005
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Schistosoma mansoni	phosphoglucomutase	0.0646	0.2612	0.2612
Giardia lamblia	Reverse transcriptase/endonuclease, putative	0.0055	0.0154	0.0159
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0055	0.0154	0.04
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.009	0.0343
Toxoplasma gondii	ribonuclease HI protein	0.0646	0.2612	1
Onchocerca volvulus	Ribonuclease H1 homolog	0.0646	0.2612	1
Schistosoma mansoni	hypothetical protein	0.0055	0.0154	0.0154
Brugia malayi	hypothetical protein	0.0521	0.2093	0.8015
Brugia malayi	RNase H family protein	0.0646	0.2612	1
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0701	0.284	0.2728
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0055	0.0154	0.0588
Schistosoma mansoni	hypothetical protein	0.0018	0.0001	0.0001
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0055	0.0154	0.0588
Trypanosoma brucei	RNA helicase, putative	0.2422	1	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0055	0.0154	0.04
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0055	0.0154	0.04
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0082	0.0313
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0055	0.0154	0.0588
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0055	0.0154	0.04
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0166	0.0791
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0168	0.0624	0.1627
Echinococcus multilocularis	survival motor neuron protein 1	0.0521	0.2093	0.5459
Schistosoma mansoni	hypothetical protein	0.0038	0.0082	0.0082
Brugia malayi	hypothetical protein	0.0055	0.0154	0.0588
Echinococcus multilocularis	tumor protein p63	0.0353	0.1394	0.3635
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0166	0.0791
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Schistosoma mansoni	hypothetical protein	0.0055	0.0154	0.0154
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0049	0.0131	0.0501
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Brugia malayi	hypothetical protein	0.0055	0.0154	0.0588
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.094	0.3835	1
Trichomonas vaginalis	NeSL-1_NeSL reverse transcriptases, putative	0.0055	0.0154	0.0092
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0001	0.0005
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.0444	0.2122
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0106	0.0368	0.1407
Trichomonas vaginalis	reverse transcriptase [C. elegans], putative	0.0055	0.0154	0.0092
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0055	0.0154	0.04
Trypanosoma brucei	unspecified product	0.0701	0.284	0.2728
Schistosoma mansoni	phosphoglucomutase	0.0646	0.2612	0.2612
Giardia lamblia	Reverse transcriptase/endonuclease, putative	0.0055	0.0154	0.0159
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.014	0.014
Trypanosoma brucei	hypothetical protein, conserved	0.0701	0.284	0.2728
Plasmodium falciparum	histone acetyltransferase GCN5	0.0045	0.0114	0.5
Brugia malayi	RNase H family protein	0.0646	0.2612	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0001	0.0006
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0055	0.0154	0.0588
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Schistosoma mansoni	scy1(yeast) protein kinase-like	0.0055	0.0154	0.0154
Schistosoma mansoni	serine/threonine protein kinase	0.0055	0.0154	0.0154
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0166	0.0634
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0163	0.0605	0.2314
Brugia malayi	MH2 domain containing protein	0.0125	0.0444	0.1701
Brugia malayi	Zinc knuckle family protein	0.0055	0.0154	0.0588
Echinococcus granulosus	RNA directed DNA polymerase	0.0055	0.0154	0.0588
Schistosoma mansoni	phosphoglucomutase	0.0646	0.2612	0.2612
Echinococcus granulosus	tumor protein p63	0.0353	0.1394	0.5338
Brugia malayi	reverse transcriptase	0.0055	0.0154	0.0588
Trypanosoma brucei	ribonuclease H1	0.0646	0.2612	0.2497
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0168	0.0624	0.0624
Trypanosoma brucei	ingi protein (ORF1)	0.0701	0.284	0.2728
Loa Loa (eye worm)	hypothetical protein	0.0052	0.014	0.067
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0049	0.0131	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0082	0.0082
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Brugia malayi	hypothetical protein	0.0055	0.0154	0.0588
Schistosoma mansoni	hypothetical protein	0.0039	0.009	0.009
Brugia malayi	RNase H family protein	0.0646	0.2612	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Loa Loa (eye worm)	acetyltransferase	0.0168	0.0624	0.2981
Brugia malayi	reverse transcriptase	0.0055	0.0154	0.0588
Giardia lamblia	Reverse transcriptase/endonuclease, putative	0.0055	0.0154	0.0159
Trichomonas vaginalis	reverse transcriptases, putative	0.0055	0.0154	0.0092
Schistosoma mansoni	protein kinase	0.0055	0.0154	0.0154
Entamoeba histolytica	acetyltransferase, GNAT family	0.0045	0.0114	1
Brugia malayi	Cytochrome P450 family protein	0.0034	0.0068	0.0262
Onchocerca volvulus		0.0106	0.0368	0.1407
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0055	0.0154	0.04
Trypanosoma cruzi	ribonuclease H1, putative	0.0646	0.2612	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0168	0.0624	0.2389
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0001	0.0004
Schistosoma mansoni	hypothetical protein	0.0018	0.0001	0.0001
Onchocerca volvulus		0.0055	0.0154	0.0588
Giardia lamblia	Reverse transcriptase/endonuclease, putative	0.0055	0.0154	0.0159
Echinococcus granulosus	ribonuclease H1	0.0646	0.2612	1
Brugia malayi	reverse transcriptase	0.0055	0.0154	0.0588
Schistosoma mansoni	hypothetical protein	0.0018	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0521	0.2093	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Brugia malayi	Zinc knuckle family protein	0.0055	0.0154	0.0588
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Trichomonas vaginalis	reverse transcriptases, putative	0.0055	0.0154	0.0092
Treponema pallidum	ribonuclease H (rnhA)	0.0646	0.2612	0.5
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Onchocerca volvulus		0.0052	0.014	0.0537
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0646	0.2612	0.5
Giardia lamblia	Reverse transcriptase/endonuclease	0.0055	0.0154	0.0159
Echinococcus granulosus	survival motor neuron protein 1	0.0521	0.2093	0.8015
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.0068	0.0327
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0055	0.0154	0.04
Trypanosoma cruzi	ribonuclease H1, putative	0.0646	0.2612	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0001	0.0004
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.0444	0.2122
Loa Loa (eye worm)	hypothetical protein	0.0039	0.009	0.0428
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0055	0.0154	0.0588
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0055	0.0154	0.04
Echinococcus multilocularis	RNA directed DNA polymerase	0.0055	0.0154	0.04
Giardia lamblia	Ribonuclease H	0.0646	0.2612	1
Brugia malayi	hypothetical protein	0.0055	0.0154	0.0588
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0001	0.0005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0166	0.0634
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0001	0.0006
Brugia malayi	hypothetical protein	0.0038	0.0082	0.0313
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0001	0.0005
Leishmania major	ribonuclease H1, putative	0.0646	0.2612	0.5
Echinococcus granulosus	GPCR family 2	0.0018	0.0001	0.0005
Schistosoma mansoni	survival motor neuron protein	0.0106	0.0368	0.0368
Brugia malayi	Pao retrotransposon peptidase family protein	0.0055	0.0154	0.0588
Schistosoma mansoni	hypothetical protein	0.0106	0.0368	0.0368
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0055	0.0154	0.04
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0055	0.0154	0.04
Mycobacterium tuberculosis	Possible maturase	0.0055	0.0154	0.5
Echinococcus multilocularis	ribonuclease H1	0.0646	0.2612	0.6811
Echinococcus granulosus	KRAB A domain containing protein	0.0055	0.0154	0.0588
Schistosoma mansoni	hypothetical protein	0.0018	0.0001	0.0001
Trypanosoma brucei	ingi protein (ORF1)	0.0701	0.284	0.2728
Trichomonas vaginalis	ribonuclease H1, putative	0.0646	0.2612	1
Onchocerca volvulus		0.0055	0.0154	0.0588

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 250 uM	Inhibition of amidase activity of LTA4 hydrolase purified from human leukocytes	ChEMBL.	8423594
IC50 (binding)	= 250 uM	Inhibition of amidase activity of LTA4 hydrolase purified from human leukocytes	ChEMBL.	8423594

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 113249