TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 271.356 | Formula: C11H13NO3S2
H donors: 1 H acceptors: 3 LogP: 0.82 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C1Cc2sccc2CN1C(=O)CCS
InChi: 1S/C11H13NO3S2/c13-10(1-3-16)12-6-7-2-4-17-9(7)5-8(12)11(14)15/h2,4,8,16H,1,3,5-6H2,(H,14,15)
InChiKey: RAIQRUJVVMJSAK-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

Species	Target name	Source	Bibliographic reference
Oryctolagus cuniculus	Angiotensin-converting enzyme	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	Get druggable targets OG5_131988	All targets in OG5_131988
Brugia malayi	Angiotensin-converting enzyme family protein	Get druggable targets OG5_131988	All targets in OG5_131988

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 multilocularis	puromycin sensitive aminopeptidase	0.0108	0.1053	0.2175
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.008	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1867	0.1824
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0052	0.5
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0108	0.1053	1
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0038	0.008	0.0246
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0108	0.1053	0.2175
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.0621	0.0572
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0	0.5
Toxoplasma gondii	aminopeptidase N protein	0.0038	0.008	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Onchocerca volvulus	Peroxidase homolog	0.0077	0.0621	0.1184
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0038	0.008	0.5
Brugia malayi	Peroxidasin	0.0077	0.0621	0.0572
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0108	0.1053	0.2175
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0038	0.008	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Brugia malayi	hypothetical protein	0.0108	0.1053	0.1006
Onchocerca volvulus	Dual oxidase homolog	0.0077	0.0621	0.1184
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0038	0.008	0.0246
Mycobacterium ulcerans	aminopeptidase N PepN	0.0108	0.1053	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Trypanosoma brucei	Aminopeptidase M1, putative	0.0108	0.1053	0.9113
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0108	0.1053	0.9113
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.007	0.0525	0.1028
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0341	0.4307	1
Brugia malayi	ecdysteroid receptor	0.0166	0.1867	0.1824
Loa Loa (eye worm)	hypothetical protein	0.007	0.0525	0.0475
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0108	0.1053	0.2175
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0038	0.008	0.5
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0296	0.3679	0.3645
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0108	0.1053	0.9113
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.0621	0.0572
Schistosoma mansoni	peroxidasin	0.0077	0.0621	0.1336
Brugia malayi	TATA binding protein associated factor	0.0038	0.008	0.0027
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0038	0.008	0.027
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0038	0.008	0.5
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0108	0.1053	0.2352
Onchocerca volvulus		0.0077	0.0621	0.1184
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0115	0.115	1
Schistosoma mansoni	peroxidasin	0.0077	0.0621	0.1336
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0108	0.1053	0.2175
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0038	0.008	0.0246
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.008	0.0059
Brugia malayi	prolyl oligopeptidase family protein	0.0341	0.4307	0.4277
Toxoplasma gondii	aminopeptidase N, putative	0.0038	0.008	0.0246
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0038	0.008	0.0059
Onchocerca volvulus		0.0077	0.0621	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0774	0.0725
Trypanosoma cruzi	aminopeptidase, putative	0.0038	0.008	0.0246
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.0621	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0328	0.4125	0.4094
Echinococcus granulosus	peroxidasin	0.0077	0.0621	0.1236
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.0621	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Brugia malayi	Peptidase family M1 containing protein	0.0108	0.1053	0.1006
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0038	0.008	0.0246
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0038	0.008	0.0064
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.007	0.0525	0.4306
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.0621	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0258	0.3151	0.3115
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0115	0.115	1
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.007	0.0525	0.1111
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0341	0.4307	0.9249
Toxoplasma gondii	aminopeptidase n, putative	0.0038	0.008	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0038	0.008	0.0027
Onchocerca volvulus	Bile acid receptor homolog	0.0166	0.1867	0.3908
Onchocerca volvulus	Peroxidasin homolog	0.0077	0.0621	0.1184
Brugia malayi	Peptidase family M1 containing protein	0.0365	0.4652	0.4624
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0341	0.4307	0.9245
Onchocerca volvulus		0.0365	0.4652	1
Brugia malayi	hypothetical protein	0.0038	0.008	0.0027
Entamoeba histolytica	aminopeptidase, putative	0.0108	0.1053	1
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.0621	0.0572
Onchocerca volvulus	Peroxidase homolog	0.0077	0.0621	0.1184
Trypanosoma brucei	Aminopeptidase M1, putative	0.0108	0.1053	0.9113
Echinococcus granulosus	aminopeptidase N	0.0365	0.4652	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0108	0.1053	0.2175
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0115	0.115	0.2387
Brugia malayi	Blistered cuticle protein 3	0.0077	0.0621	0.0572
Brugia malayi	hypothetical protein	0.0077	0.0621	0.0572
Echinococcus multilocularis	aminopeptidase N	0.0365	0.4652	1
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0108	0.1053	0.2352
Onchocerca volvulus		0.0108	0.1053	0.2129
Loa Loa (eye worm)	hypothetical protein	0.007	0.0525	0.0475
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Loa Loa (eye worm)	aminopeptidase N	0.0108	0.1053	0.1006
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0341	0.4307	0.9249
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0	0.5
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0115	0.115	0.2581
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.0621	0.0572
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0115	0.115	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0108	0.1053	0.2175
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0038	0.008	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0038	0.008	0.0027
Loa Loa (eye worm)	TATA binding protein associated factor	0.0038	0.008	0.0027
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0115	0.115	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0108	0.1053	0.2175
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.008	0.0059
Brugia malayi	hypothetical protein	0.0088	0.0774	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Echinococcus multilocularis	peroxidasin	0.0077	0.0621	0.1236
Loa Loa (eye worm)	prolyl oligopeptidase	0.0341	0.4307	0.4277
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0038	0.008	0.5
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0038	0.008	0.0064
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0749	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.0621	0.0572
Brugia malayi	prolyl oligopeptidase family protein	0.0115	0.115	0.1104
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0108	0.1053	0.9113
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0115	0.115	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0108	0.1053	0.2175
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Loa Loa (eye worm)	blistered cuticle protein 3	0.0077	0.0621	0.0572
Trypanosoma cruzi	aminopeptidase, putative	0.0108	0.1053	0.9113
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0115	0.115	0.2387
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0115	0.115	1
Onchocerca volvulus		0.0077	0.0621	0.1184
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0108	0.1053	0.9113
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0108	0.1053	0.9113
Onchocerca volvulus	Chorion peroxidase homolog	0.0077	0.0621	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0038	0.008	0.0064
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.0621	0.0572
Trypanosoma brucei	aminopeptidase, putative	0.0038	0.008	0.0246
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0108	0.1053	1
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0038	0.008	0.0059
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0038	0.008	0.0246
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0108	0.1053	0.2175
Loa Loa (eye worm)	hypothetical protein	0.0038	0.008	0.0027
Onchocerca volvulus	Peroxidasin homolog	0.0077	0.0621	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0621	0.0572
Mycobacterium ulcerans	aminopeptidase N PepN	0.0038	0.008	0.027

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 620 nM	In vitro inhibition of Angiotensin I converting enzyme	ChEMBL.	6310112
IC50 (binding)	= 620 nM	In vitro inhibition of Angiotensin I converting enzyme	ChEMBL.	6310112

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 28757