TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 408.899 | Formula: C19H21ClN2O4S
H donors: 1 H acceptors: 3 LogP: 3.03 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC1OC(C)CN(C1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1Cl
InChi: 1S/C19H21ClN2O4S/c1-13-11-22(12-14(2)26-13)19(23)15-7-9-16(10-8-15)27(24,25)21-18-6-4-3-5-17(18)20/h3-10,13-14,21H,11-12H2,1-2H3
InChiKey: WWMQZRMZCAGNJP-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
Homo sapiens	K(lysine) acetyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Entamoeba histolytica	acetyltransferase, GNAT family	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma japonicum	ko:K06062 p300/CBP-associated factor, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Plasmodium yoelii	histone acetyltransferase GCN5-related	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Plasmodium knowlesi	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Plasmodium berghei	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	Get druggable targets OG5_127781	All targets in OG5_127781
Loa Loa (eye worm)	acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Cryptosporidium hominis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	Get druggable targets OG5_127781	All targets in OG5_127781
Babesia bovis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Giardia lamblia	Histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	hypothetical protein	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Neospora caninum	Bromodomain containing protein, related	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	acetyltransferase, GNAT family protein	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	Get druggable targets OG5_127781	All targets in OG5_127781
Cryptosporidium parvum	GCN5 like acetylase + bromodomain	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Theileria parva	histone acetyltransferase Gcn5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium falciparum	histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium vivax	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.026	0.0367
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1381	0.1695
Brugia malayi	Pre-SET motif family protein	0.0208	0.8146	1
Loa Loa (eye worm)	acetyltransferase	0.0175	0.6675	0.8194
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.067	0.0712
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.232	0.3274
Loa Loa (eye worm)	hypothetical protein	0.0039	0.067	0.0823
Mycobacterium tuberculosis	Conserved protein	0.0039	0.067	0.067
Mycobacterium leprae	Probable lipase LipE	0.0039	0.067	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.067	0.0712
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1381	0.1948
Mycobacterium ulcerans	hypothetical protein	0.0039	0.067	1
Onchocerca volvulus		0.0039	0.067	0.0712
Loa Loa (eye worm)	beta-lactamase	0.0039	0.067	0.0823
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.067	0.0823
Brugia malayi	RNA binding protein	0.0076	0.232	0.2848
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.067	0.0823
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1381	0.1948
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.067	0.5
Onchocerca volvulus		0.0039	0.067	0.0712
Brugia malayi	beta-lactamase	0.0039	0.067	0.0823
Schistosoma mansoni	hypothetical protein	0.0184	0.7087	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.026	0.0319
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.067	0.0946
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.232	0.3274
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0051	0.1214	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.026	0.0367
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.026	0.0367
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.067	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.067	0.0712
Onchocerca volvulus		0.003	0.026	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0039	0.067	0.0823
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.232	0.2848
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.232	0.3274
Brugia malayi	beta-lactamase family protein	0.0039	0.067	0.0823
Loa Loa (eye worm)	acetylcholinesterase 1	0.0142	0.5217	0.6405
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.067	0.067
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0211	0.0298
Trichomonas vaginalis	set domain proteins, putative	0.0237	0.9418	1
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.067	0.5
Brugia malayi	beta-lactamase family protein	0.0039	0.067	0.0823
Brugia malayi	Carboxylesterase family protein	0.0142	0.5217	0.6405
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0051	0.1214	0.1289
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.232	0.2848
Entamoeba histolytica	acetyltransferase, GNAT family	0.0047	0.1025	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1381	0.1948
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.026	0.0367
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1381	0.1948
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.067	0.067
Trichomonas vaginalis	esterase, putative	0.0039	0.067	0.0712
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.232	0.2848
Brugia malayi	Pre-SET motif family protein	0.003	0.026	0.0319
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.067	1
Onchocerca volvulus		0.0237	0.9418	1
Echinococcus granulosus	carboxylesterase 5A	0.0142	0.5217	0.7361
Echinococcus multilocularis	geminin	0.0184	0.7087	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.067	0.0712
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0051	0.1214	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.067	0.067
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.067	0.0712
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0051	0.1214	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0051	0.1214	0.1713
Loa Loa (eye worm)	hypothetical protein	0.0142	0.5217	0.6405
Echinococcus granulosus	acetylcholinesterase	0.0142	0.5217	0.7361
Giardia lamblia	Histone acetyltransferase GCN5	0.0047	0.1025	0.5
Echinococcus granulosus	geminin	0.0184	0.7087	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.067	0.067
Echinococcus multilocularis	carboxylesterase 5A	0.0142	0.5217	0.7361
Loa Loa (eye worm)	hypothetical protein	0.0039	0.067	0.0823
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0175	0.6675	0.9419
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.232	0.3274
Loa Loa (eye worm)	hypothetical protein	0.0142	0.5217	0.6405
Toxoplasma gondii	ABC1 family protein	0.0039	0.067	0.4303
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.067	0.0946
Brugia malayi	TAR-binding protein	0.0076	0.232	0.2848
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.067	0.4303
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.067	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.026	0.0367
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1381	0.1948
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.067	0.0946
Loa Loa (eye worm)	hypothetical protein	0.0039	0.067	0.0823
Echinococcus granulosus	acetylcholinesterase	0.0142	0.5217	0.7361
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0051	0.1214	0.1289
Loa Loa (eye worm)	hypothetical protein	0.0039	0.067	0.0823
Mycobacterium tuberculosis	Conserved protein	0.0039	0.067	0.067
Leishmania major	hypothetical protein, conserved	0.0039	0.067	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.067	0.067
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.232	0.3274
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1381	0.1695
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1381	0.1948
Echinococcus granulosus	tar DNA binding protein	0.0076	0.232	0.3274
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0175	0.6675	0.9419
Loa Loa (eye worm)	RNA binding protein	0.0076	0.232	0.2848
Schistosoma mansoni	hypothetical protein	0.0184	0.7087	1
Loa Loa (eye worm)	carboxylesterase	0.0142	0.5217	0.6405
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.026	0.0367
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.067	0.067
Brugia malayi	Carboxylesterase family protein	0.0142	0.5217	0.6405
Echinococcus multilocularis	acetylcholinesterase	0.0142	0.5217	0.7361
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.067	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.232	0.3274
Plasmodium falciparum	histone acetyltransferase GCN5	0.0047	0.1025	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.067	0.0946
Loa Loa (eye worm)	hypothetical protein	0.0039	0.067	0.0823
Mycobacterium tuberculosis	Conserved protein	0.0039	0.067	0.067
Mycobacterium ulcerans	lipase LipD	0.0039	0.067	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.8146	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0175	0.6675	0.8194
Onchocerca volvulus		0.0039	0.067	0.0712
Mycobacterium ulcerans	beta-lactamase	0.0039	0.067	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.067	0.067
Echinococcus multilocularis	acetylcholinesterase	0.0142	0.5217	0.7361
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.026	0.0367
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1381	0.1948
Echinococcus granulosus	histone acetyltransferase KAT2B	0.017	0.6458	0.9113
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0142	0.5217	0.7361

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7943 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]	ChEMBL.	No reference
Potency (functional)	2.8184 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1707857

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 1534678