TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 300.759 | Formula: C16H9ClO2S
H donors: 0 H acceptors: 1 LogP: 4.69 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)C(=O)c1cc2ccccc2oc1=S
InChi: 1S/C16H9ClO2S/c17-12-7-5-10(6-8-12)15(18)13-9-11-3-1-2-4-14(11)19-16(13)20/h1-9H
InChiKey: ZQUWETBLMZAOKG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Entamoeba histolytica	acyl-coA synthetase, putative	0.0052	0.2666	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.2666	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0339	0.0332
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0152	0.9445	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0339	0.0628
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0015	0.019	0.0174
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0017	0.0339	0.0628
Plasmodium falciparum	thioredoxin reductase	0.0017	0.0339	0.0628
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.256	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0339	0.0628
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0234	0.03
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.2666	0.3262
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0017	0.0339	0.0628
Trypanosoma cruzi	trypanothione reductase, putative	0.0017	0.0339	0.0628
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.2666	1
Onchocerca volvulus		0.0052	0.2666	0.2886
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0234	0.03
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0162	0.0171
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.1893	0.1893
Loa Loa (eye worm)	hypothetical protein	0.0039	0.178	0.1884
Entamoeba histolytica	hypothetical protein	0.004	0.1893	0.688
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0234	0.0247
Echinococcus granulosus	GPCR family 2	0.0016	0.0234	0.0913
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0234	0.0221
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.019	0.0185
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0017	0.0339	0.0628
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0339	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.2666	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0339	0.0339
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0017	0.0339	0.0628
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0052	0.2666	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0017	0.0339	0.0628
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0039	0.178	0.6421
Echinococcus granulosus	roundabout 2	0.0015	0.0162	0.0631
Brugia malayi	hypothetical protein	0.004	0.1893	0.1983
Onchocerca volvulus	Tyrosine kinase homolog	0.0142	0.8768	1
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0234	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0039	0.178	0.1884
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.256	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0339	0.0628
Trichomonas vaginalis	glutathione reductase, putative	0.0017	0.0339	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0015	0.019	0.0185
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.2666	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.256	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.2666	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0234	0.0234
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0.0339	0.5
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0015	0.019	0.0174
Schistosoma mansoni	hypothetical protein	0.0016	0.0234	0.0234
Leishmania major	trypanothione reductase	0.005	0.256	0.9572
Schistosoma mansoni	hypothetical protein	0.0016	0.0234	0.0234
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.1637	0.2056
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.1637	0.2056
Entamoeba histolytica	hypothetical protein	0.004	0.1893	0.688
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.1637	0.2056
Brugia malayi	Thioredoxin reductase	0.005	0.256	0.269
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0114	0.6914	0.8881
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0052	0.2666	1
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0234	0.03
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0015	0.019	0.0742
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2666	0.2822
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.2666	0.2802
Mycobacterium tuberculosis	Probable oxidoreductase	0.0127	0.7779	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0339	0.1323
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.2666	0.3262
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.019	0.0174
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.019	0.0174
Toxoplasma gondii	NADPH-glutathione reductase	0.0017	0.0339	0.0628
Trichomonas vaginalis	mercuric reductase, putative	0.0017	0.0339	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0339	0.0601
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.019	0.0174
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0017	0.0339	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0039	0.178	0.1884
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0127	0.7779	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.2552	0.2702
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.256	0.271
Mycobacterium tuberculosis	Probable dehydrogenase	0.0114	0.6914	0.8881
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0015	0.019	0.0185
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0039	0.178	0.2241
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0017	0.0339	0.0601
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0015	0.019	0.0201
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0114	0.6914	0.8881
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0052	0.2666	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.019	0.0201
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.2666	1
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.2666	0.2802
Loa Loa (eye worm)	hypothetical protein	0.005	0.2552	0.2702
Plasmodium falciparum	thioredoxin reductase	0.005	0.256	1
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0015	0.019	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1479	0.1566
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0017	0.0339	0.0628
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0339	0.0628
Mycobacterium ulcerans	hypothetical protein	0.0052	0.2666	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0234	0.0234
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0015	0.019	0.0185
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.2666	0.3387
Plasmodium vivax	acyl-CoA synthetase, putative	0.0039	0.178	0.6709
Entamoeba histolytica	hypothetical protein	0.004	0.1893	0.688
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0017	0.0339	0.0601
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0339	0.5
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0015	0.019	0.0185
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0015	0.019	0.0185
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0234	0.0913
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0017	0.0339	0.0377
Plasmodium falciparum	acyl-CoA synthetase	0.0039	0.178	0.6709
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0339	0.0628
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0017	0.0339	0.0601
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0015	0.019	0.0185
Trypanosoma brucei	trypanothione reductase	0.005	0.256	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0127	0.7779	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0017	0.0339	0.0628
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0052	0.2666	0.3387
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.019	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0162	0.0171
Plasmodium falciparum	glutathione reductase	0.0017	0.0339	0.0628
Plasmodium vivax	glutathione reductase, putative	0.005	0.256	1
Onchocerca volvulus		0.0139	0.8548	0.9745
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0114	0.6914	0.886
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0339	0.0628
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0339	0.0628
Entamoeba histolytica	hypothetical protein	0.004	0.1893	0.688
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.2552	0.2681
Loa Loa (eye worm)	hypothetical protein	0.0039	0.178	0.1884
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1479	0.1542
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0339	0.0628
Schistosoma mansoni	hypothetical protein	0.004	0.1893	0.1893
Brugia malayi	glutathione reductase	0.005	0.256	0.269
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0114	0.6914	0.8881
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0039	0.178	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.1893	0.7221
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0052	0.2666	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.178	0.1884
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0234	0.0913
Mycobacterium tuberculosis	Probable reductase	0.0114	0.6914	0.8881
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0015	0.019	0.0201
Schistosoma mansoni	hypothetical protein	0.0034	0.1479	0.1479
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0339	0.0628
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.2666	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0339	0.0601
Treponema pallidum	NADH oxidase	0.0017	0.0339	0.5
Toxoplasma gondii	thioredoxin reductase	0.005	0.256	1
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.256	1
Loa Loa (eye worm)	oxidoreductase	0.0015	0.019	0.0201
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.2666	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2666	0.2822
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0015	0.019	0.0185
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0339	0.0738
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.1637	0.2056
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.2666	0.2802
Loa Loa (eye worm)	hypothetical protein	0.0015	0.019	0.0201
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0017	0.0339	0.0601
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0114	0.6914	0.8881
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0234	0.0247
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.1893	0.7397
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.019	0.0185
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.2552	0.2681
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.019	0.0174
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.019	0.0185
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0339	0.0628
Loa Loa (eye worm)	glutathione reductase	0.005	0.256	0.271
Schistosoma mansoni	acetyl-CoA synthetase	0.0015	0.019	0.019
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0152	0.9445	1
Plasmodium falciparum	glutathione reductase	0.005	0.256	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0127	0.7779	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2666	0.2822
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.256	0.325

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: CHEMBL1164775

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 1137876