TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 362.874 | Formula: C18H19ClN2O2S
H donors: 1 H acceptors: 3 LogP: 6.04 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)n(cc2CCC(C)(C)C)c1scc(n1)C(=O)O
InChi: 1S/C18H19ClN2O2S/c1-18(2,3)7-6-11-9-21(15-8-12(19)4-5-13(11)15)17-20-14(10-24-17)16(22)23/h4-5,8-10H,6-7H2,1-3H3,(H,22,23)
InChiKey: KWCSGHGCXOSYQY-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
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0173	0.6705	1
Trichomonas vaginalis	CMGC family protein kinase	0.0042	0.1235	0.1833
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0995	0.1475
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.0251	1	1
Leishmania major	hypothetical protein, conserved	0.0037	0.0995	0.4163
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0995	0.0815
Plasmodium falciparum	ornithine aminotransferase	0.0025	0.0488	0.3918
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1216	0.1216
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0995	0.4163
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0042	0.1235	0.1235
Entamoeba histolytica	cell division protein kinase 2, putative	0.0042	0.1235	0.5176
Trichomonas vaginalis	CMGC family protein kinase	0.0042	0.1235	0.1833
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1638	0.1638
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0995	0.0995
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0995	0.2196
Giardia lamblia	Kinase, CMGC CDK	0.0042	0.1235	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1638	0.1633
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0995	0.0576
Brugia malayi	beta-lactamase family protein	0.0037	0.0995	0.2196
Echinococcus granulosus	Aminotransferase class III	0.0025	0.0488	0.0482
Echinococcus multilocularis	ornithine aminotransferase	0.0025	0.0488	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0995	0.0995
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1638	0.1633
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0042	0.1235	0.5176
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0042	0.1235	0.1235
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0995	0.0815
Loa Loa (eye worm)	hypothetical protein	0.012	0.4504	0.4504
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.007	0.238	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0995	0.0576
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0173	0.6705	0.7074
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1638	0.1638
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0995	0.1475
Schistosoma mansoni	serine/threonine protein kinase	0.0042	0.1235	0.1235
Trichomonas vaginalis	CMGC family protein kinase	0.0042	0.1235	0.1833
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0042	0.1235	0.1229
Onchocerca volvulus		0.0037	0.0995	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1638	0.1633
Trypanosoma cruzi	cdc2-related kinase 3	0.0042	0.1235	0.5176
Brugia malayi	hypothetical protein	0.012	0.4504	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0995	0.2196
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.007	0.238	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.1638	0.3628
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0173	0.6705	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0995	0.1475
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0995	0.0995
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0995	0.0576
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0995	0.0576
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.0251	1	1
Onchocerca volvulus		0.0037	0.0995	0.5
Mycobacterium ulcerans	lipase LipD	0.0037	0.0995	0.0815
Entamoeba histolytica	cell division protein kinase 2, putative	0.0042	0.1235	0.5176
Echinococcus granulosus	cyclin dependent kinase 1	0.0042	0.1235	0.1229
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0995	0.0815
Plasmodium falciparum	protein kinase 5	0.0042	0.1235	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0234	0.9277	1
Mycobacterium tuberculosis	Probable aminotransferase	0.0173	0.6705	0.7074
Trypanosoma cruzi	cdc2-related kinase 1	0.0042	0.1235	0.5176
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0995	0.0995
Loa Loa (eye worm)	hypothetical protein	0.0251	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0995	0.0995
Echinococcus granulosus	ornithine aminotransferase	0.0025	0.0488	0.0482
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.007	0.238	0.5276
Echinococcus granulosus	transcription factor Dp 1	0.004	0.1149	0.1143
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0995	0.0576
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0995	0.1475
Brugia malayi	beta-lactamase	0.0037	0.0995	0.2196
Echinococcus multilocularis	cyclin dependent kinase 5	0.0042	0.1235	0.1229
Echinococcus multilocularis	cyclin dependent kinase 1	0.0042	0.1235	0.1229
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.007	0.238	0.238
Echinococcus multilocularis	cyclin dependent kinase 1	0.0042	0.1235	0.1229
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0013	0.0007	0.0007
Trypanosoma cruzi	cdc2-related kinase 3	0.0042	0.1235	0.5176
Brugia malayi	cell division control protein 2 homolog	0.0042	0.1235	0.2731
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.007	0.238	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0995	0.0988
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0025	0.0488	0.3918
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0995	0.0995
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.1638	0.1638
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0995	0.0815
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0995	0.0576
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0995	0.4163
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.007	0.238	0.2374
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0995	0.0995
Trichomonas vaginalis	esterase, putative	0.0037	0.0995	0.1475
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.007	0.238	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0995	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0995	0.0995
Plasmodium vivax	ornithine aminotransferase, putative	0.0025	0.0488	0.3918
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0995	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0995	0.0995
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0995	0.0995
Loa Loa (eye worm)	hypothetical protein	0.012	0.4504	0.4504
Onchocerca volvulus		0.0037	0.0995	0.5
Trypanosoma brucei	cdc2-related kinase 3	0.0042	0.1235	0.5176
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0995	0.0576
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0042	0.1235	0.5176
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0042	0.1235	0.1235
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0995	0.8043
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0995	0.0815
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0025	0.0488	0.107
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0025	0.0488	0.0488
Echinococcus multilocularis	ornithine aminotransferase	0.0025	0.0488	0.0482
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.007	0.238	0.2374
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0025	0.0488	0.5
Echinococcus granulosus	cyclin dependent kinase	0.0042	0.1235	0.1229
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0995	0.0815
Echinococcus multilocularis	cyclin dependent kinase	0.0042	0.1235	0.1229
Echinococcus granulosus	cyclin dependent kinase 5	0.0042	0.1235	0.1229
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0995	0.4163
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0995	0.0576
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0173	0.6705	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0995	0.1475
Mycobacterium ulcerans	hypothetical protein	0.0173	0.6705	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.007	0.238	0.238
Trypanosoma cruzi	cdc2-related kinase 1	0.0042	0.1235	0.5176
Plasmodium vivax	protein kinase Crk2	0.0042	0.1235	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1638	0.1633
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0007
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0025	0.0488	0.5
Trypanosoma brucei	cdc2-related kinase 1	0.0042	0.1235	0.5176
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.007	0.238	1
Giardia lamblia	Kinase, CMGC CDK	0.0042	0.1235	1
Toxoplasma gondii	ABC1 family protein	0.0037	0.0995	0.8043
Brugia malayi	Protein kinase domain containing protein	0.0042	0.1235	0.2731
Echinococcus multilocularis	transcription factor Dp 1	0.004	0.1149	0.1143
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0042	0.1235	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1638	0.1638
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0995	0.0576
Echinococcus multilocularis	Aminotransferase class III	0.0025	0.0488	0.0482
Schistosoma mansoni	serine/threonine protein kinase	0.0042	0.1235	0.1235
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0013	0.0007	0.0007

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: CHEMBL1206265

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 1013317