TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 433.928 | Formula: C20H16ClNO4S2
H donors: 2 H acceptors: 4 LogP: 4.52 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1c1ccc(s1)S(=O)(=O)N[C@]1(C[C@@H]1c1ccccc1)C(=O)O
InChi: 1S/C20H16ClNO4S2/c21-16-9-5-4-8-14(16)17-10-11-18(27-17)28(25,26)22-20(19(23)24)12-15(20)13-6-2-1-3-7-13/h1-11,15,22H,12H2,(H,23,24)/t15-,20+/m1/s1
InChiKey: PVLZRVRKURBATI-QRWLVFNGSA-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
Echinococcus multilocularis	geminin	0.0172	0.7458	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0088	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0106	0.4282	0.4282
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.2194	0.3126
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.2194	0.2941
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0985	0.1321
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0041	0.0041
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0918	0.6349
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0377	0.0728
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0106	0.4282	0.4282
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0918	0.1228
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0985	0.1321
Loa Loa (eye worm)	hypothetical protein	0.0124	0.518	0.7357
Brugia malayi	beta-lactamase	0.0035	0.0918	0.1773
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0918	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1453	0.1949
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0377	0.0728
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.4845	0.4845
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1453	0.2806
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0239	0.0251
Onchocerca volvulus	Huntingtin homolog	0.0124	0.518	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0088	0.0125
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0918	0.1309
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0106	0.4282	0.588
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.2144	0.2874
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0918	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1219	0.1661
Toxoplasma gondii	thioredoxin reductase	0.0046	0.1446	0.6593
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1453	0.1998
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0377	0.0537
Toxoplasma gondii	ABC1 family protein	0.0035	0.0918	0.4186
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0018	0.0085	0.7543
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0918	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0918	0.1228
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0918	0.1228
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0113	0.007
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0113	0.1234
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0918	0.1773
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1453	0.1949
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0332	0.0445
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0113	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0918	0.1228
Echinococcus granulosus	zinc finger protein	0.002	0.0188	0.0251
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0113	0.0113
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0918	0.1309
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0106	0.4282	0.4282
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.2194	0.2941
Schistosoma mansoni	bromodomain containing protein	0.0064	0.2318	0.3109
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.2194	0.2941
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0377	0.0728
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0377	0.0537
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0113	0.0784
Echinococcus multilocularis	zinc finger protein	0.002	0.0188	0.0251
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0065	0.0086
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0377	1
Loa Loa (eye worm)	glutathione reductase	0.0046	0.1446	0.1987
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0918	0.0918
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0113	0.0784
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0918	0.1309
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0332	0.0445
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1453	0.1949
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0918	0.1228
Brugia malayi	Bromodomain containing protein	0.0076	0.289	0.5579
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0918	0.1309
Schistosoma mansoni	ap endonuclease	0.0018	0.0113	0.0152
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.2194	0.3126
Toxoplasma gondii	exonuclease III APE	0.0018	0.0113	0.0517
Leishmania major	trypanothione reductase	0.0046	0.1446	0.6593
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0377	0.1719
Schistosoma mansoni	ap endonuclease	0.0018	0.0113	0.0152
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0918	0.0918
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0918	0.6349
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0918	1
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0163	0.7018	1
Onchocerca volvulus		0.0035	0.0918	0.1127
Onchocerca volvulus		0.0035	0.0918	0.1127
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0377	0.1719
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0377	0.0537
Trypanosoma brucei	trypanothione reductase	0.0046	0.1446	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1104	0.1495
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0377	0.045
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0377	0.0377
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.1446	0.1939
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0918	0.1228
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0918	0.1231
Schistosoma mansoni	hypothetical protein	0.0172	0.7458	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.518	0.7357
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.2144	0.2874
Brugia malayi	beta-lactamase family protein	0.0035	0.0918	0.1773
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0377	0.0537
Brugia malayi	Bromodomain containing protein	0.0039	0.11	0.2124
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0113	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0088	0.0034
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.2194	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.2194	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0088	0.0088
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0163	0.7018	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0918	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0065	0.0086
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.1446	0.1987
Brugia malayi	beta-lactamase family protein	0.0035	0.0918	0.1773
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0918	0.1228
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0918	0.1228
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.4845	0.4845
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.4845	0.4845
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0918	0.1231
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.1446	1
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0149	0.6369	0.6369
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0113	0.0152
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0377	0.0537
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0088	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1312	0.1795
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0017	0.0065	0.0086
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0113	1
Schistosoma mansoni	zinc finger protein	0.002	0.0188	0.0251
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0918	0.6349
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1453	0.1949
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0088	0.0034
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0918	0.6349
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0918	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0377	0.045
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0918	0.0918
Trichomonas vaginalis	esterase, putative	0.0035	0.0918	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.1446	0.1446
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0918	0.1231
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0065	0.0086
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1453	0.1949
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0918	0.0918
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0113	0.0152
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.1446	0.1939
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1453	0.1949
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.4845	0.6728
Schistosoma mansoni	d-amino acid oxidase	0.0163	0.7018	0.9409
Onchocerca volvulus	Huntingtin homolog	0.0124	0.518	1
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0113	0.1234
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1453	0.1949
Mycobacterium ulcerans	lipase LipD	0.0035	0.0918	0.1309
Echinococcus granulosus	histone lysine methyltransferase setb	0.0017	0.0065	0.0086
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0377	0.0537
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0377	0.0537
Brugia malayi	PHD-finger family protein	0.0025	0.0448	0.0864
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0113	0.0784
Brugia malayi	hypothetical protein	0.0124	0.518	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0065	0.0086
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.2194	0.2941
Echinococcus granulosus	geminin	0.0172	0.7458	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0377	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0088	0.0034
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0113	0.0784
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0332	0.0445
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.1446	1
Schistosoma mansoni	hypothetical protein	0.0172	0.7458	1
Mycobacterium tuberculosis	Probable reductase	0.0106	0.4282	0.4282
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0113	0.0219
Brugia malayi	glutathione reductase	0.0046	0.1446	0.2792
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0918	0.0918
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0377	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0377	0.045
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0113	1
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0094	0.0043
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0106	0.4282	0.4282
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0918	1
Schistosoma mansoni	hypothetical protein	0.0021	0.0239	0.0321
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0065	0.0086
Plasmodium falciparum	glutathione reductase	0.0046	0.1446	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.2194	0.2194
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0918	0.0815
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0113	0.0955
Leishmania major	hypothetical protein, conserved	0.0035	0.0918	0.4186
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0088	0.0034
Mycobacterium tuberculosis	Probable dehydrogenase	0.0106	0.4282	0.4282
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0918	0.1231
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2681	0.3763
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0918	0.0918
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0377	0.0377
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.2194	0.3126
Loa Loa (eye worm)	hypothetical protein	0.0163	0.7018	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0377	0.1719
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0088	0.0608
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0065	0.0086
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0918	0.0918
Brugia malayi	Thioredoxin reductase	0.0046	0.1446	0.2792
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0113	0.0161
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0113	0.0517
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0377	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0918	1
Plasmodium falciparum	thioredoxin reductase	0.0046	0.1446	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0041	0.0041
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0918	0.0918
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0088	0.0034
Plasmodium vivax	glutathione reductase, putative	0.0046	0.1446	1
Onchocerca volvulus		0.0035	0.0918	0.1127
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0041	0.0041

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 48 %	Inhibition of ADAMTS5 at 1 uM	ChEMBL.	19767207

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: CHEMBL1077891

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 1133709