TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 275.795 | Formula: C12H18ClNO2S
H donors: 1 H acceptors: 2 LogP: 2.67 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCCN(C(C)C)CCC(=O)c1ccc(s1)Cl
InChi: 1S/C12H18ClNO2S/c1-9(2)14(7-8-15)6-5-10(16)11-3-4-12(13)17-11/h3-4,9,15H,5-8H2,1-2H3
InChiKey: ADCVOISDSRYKES-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
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.1085	0.1124
Echinococcus granulosus	tar DNA binding protein	0.0067	0.2528	0.3365
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2528	0.3365
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.2528	0.3365
Plasmodium vivax	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0014	0.0362	0.2211
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.1635	0.1321
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-Kinase	0.0014	0.0362	0.2211
Echinococcus multilocularis	ubiquitin specific protease 41	0.0039	0.1392	0.1601
Loa Loa (eye worm)	hypothetical protein	0.0172	0.6799	0.7664
Brugia malayi	Pre-SET motif family protein	0.0032	0.1085	0.0861
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0154	0.6041	0.8822
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.1085	0.1124
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.2528	0.2578
Loa Loa (eye worm)	RNA binding protein	0.0067	0.2528	0.2578
Brugia malayi	Pre-SET motif family protein	0.0221	0.8762	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2528	0.3365
Loa Loa (eye worm)	pip kinase 2	0.0172	0.6799	0.7664
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.1085	0.1124
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.1392	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0149	0.5866	0.8551
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.1392	0.1601
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.1392	0.1069
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0172	0.6799	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.1392	0.1069
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-kinase	0.0014	0.0362	0.2211
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.1392	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0154	0.6041	0.6761
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2528	0.3365
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0362	0.2211
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1392	0.1227
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1085	0.0861
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0039	0.1392	0.1601
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.1635	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0041	0.1482	1
Trichomonas vaginalis	set domain proteins, putative	0.0251	1	1
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0172	0.6799	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0039	0.1392	0.1601
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.1085	0.1124
Entamoeba histolytica	acetyltransferase, GNAT family	0.0041	0.1482	1
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0039	0.1392	0.1601
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2528	0.3365
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.1392	0.1601
Loa Loa (eye worm)	acetyltransferase	0.0154	0.6041	0.6761
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-Kinase	0.0014	0.0362	0.2211
Plasmodium vivax	SET domain protein, putative	0.0032	0.1085	0.6637
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0039	0.1392	0.9196
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.1392	1
Brugia malayi	TAR-binding protein	0.0067	0.2528	0.2578
Echinococcus granulosus	ubiquitin specific protease 41	0.0039	0.1392	0.1601
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0039	0.1392	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.2528	0.2578
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.1038	0.1051
Plasmodium falciparum	histone acetyltransferase GCN5	0.0041	0.1482	1
Onchocerca volvulus		0.0172	0.6799	0.641
Brugia malayi	RNA binding protein	0.0067	0.2528	0.2578
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0154	0.6041	0.8822
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0221	0.8762	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.1085	0.6637
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.1392	0.1069
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0172	0.6799	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.1635	0.1321
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.1635	1
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0039	0.1392	0.1601
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.1085	0.1124
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0039	0.1392	0.1227
Brugia malayi	Pip kinase protein 2	0.0172	0.6799	0.7664
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.2528	0.2578
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.1085	0.1124
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.1085	0.1124
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.1635	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2528	0.3365
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.1635	0.1978
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0039	0.1392	0.9196
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0172	0.6799	1

Activities

No activities found for this compound.

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: CHEMBL592643

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1088528