TDR Targets

Basic information

Technical information

TDR Targets ID: 1246035
Name: N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfany lacetamide
MW: 322.424 | Formula: C19H18N2OS
H donors: 1 H acceptors: 2 LogP: 4.33 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cc(C)ccc1C)CSc1cccc2c1nccc2
InChi: 1S/C19H18N2OS/c1-13-8-9-14(2)16(11-13)21-18(22)12-23-17-7-3-5-15-6-4-10-20-19(15)17/h3-11H,12H2,1-2H3,(H,21,22)
InChiKey: JZCWAOBHJSNZSV-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

N-(2,5-dimethylphenyl)-2-(8-quinolylsulfanyl)acetamide
N-(2,5-dimethylphenyl)-2-(8-quinolylthio)acetamide
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanyl-ethanamide
ZINC00859014
MLS001163291
N-(2,5-dimethylphenyl)-2-(8-quinolinylthio)acetamide
SMR000497204
Oprea1_461046

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	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
Echinococcus granulosus	tar DNA 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
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA 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
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA 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)	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
Brugia malayi	RNA 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
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461

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	tar DNA-binding protein	0.0076	0.4236	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0153	1	1
Toxoplasma gondii	cathepsin CPL	0.004	0.1472	0.5
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0468	0.1105
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.004	0.1472	0.3474
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.004	0.1472	0.3342
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4236	1
Onchocerca volvulus		0.004	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.004	0.1472	0.3342
Trypanosoma cruzi	cysteine peptidase, putative	0.0153	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4236	1
Onchocerca volvulus		0.004	0.1472	1
Giardia lamblia	NADPH oxidoreductase, putative	0.0079	0.4404	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4236	1
Loa Loa (eye worm)	ctsf protein	0.004	0.1472	0.2663
Onchocerca volvulus		0.004	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Echinococcus multilocularis	cathepsin L cysteine protease	0.004	0.1472	0.3474
Giardia lamblia	NADPH oxidoreductase, putative	0.0079	0.4404	0.5
Echinococcus granulosus	cathepsin L cysteine proteinase	0.004	0.1472	0.3474
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0468	0.1105
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.3001	0.7083
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.004	0.1472	0.3342
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0079	0.4404	1
Brugia malayi	Cathepsin L-like precursor	0.004	0.1472	0.3474
Trypanosoma cruzi	cruzipain precursor, putative	0.0153	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.4236	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.004	0.1472	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.4236	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0079	0.4404	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.004	0.1472	0.3474
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.004	0.1472	0.2663
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Trichomonas vaginalis	conserved hypothetical protein	0.0059	0.2913	0.6615
Leishmania major	cathepsin L-like protease	0.0153	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Entamoeba histolytica	cysteine protease, putative	0.004	0.1472	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.004	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.004	0.1472	0.3342
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Plasmodium vivax	vivapain-2	0.004	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Onchocerca volvulus		0.004	0.1472	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.4236	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0079	0.4404	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.1472	0.2663
Schistosoma mansoni	cathepsin F (C01 family)	0.0027	0.0468	0.1105
Trypanosoma cruzi	cysteine peptidase, putative	0.0153	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Onchocerca volvulus		0.004	0.1472	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Brugia malayi	Cathepsin L-like precursor	0.004	0.1472	0.3474
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.3001	0.7083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.004	0.1472	0.3342
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.004	0.1472	0.3342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Brugia malayi	Cathepsin L-like precursor	0.004	0.1472	0.3474
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.4236	1
Loa Loa (eye worm)	cysteine protease	0.004	0.1472	0.2663
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Onchocerca volvulus	Cathepsin L homolog	0.004	0.1472	1
Echinococcus granulosus	cathepsin l1	0.0027	0.0468	0.1105
Trypanosoma cruzi	major cysteine proteinase, putative	0.012	0.7525	0.7525
Loa Loa (eye worm)	RNA binding protein	0.0076	0.4236	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0027	0.0468	0.1105
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.3001	0.6721
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Entamoeba histolytica	cysteine proteinase, putative	0.004	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.004	0.1472	0.3342
Plasmodium falciparum	cysteine proteinase falcipain 3	0.004	0.1472	1
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Plasmodium vivax	vivapain-2	0.004	0.1472	1
Echinococcus granulosus	cathepsin l1	0.004	0.1472	0.3474
Brugia malayi	Papain family cysteine protease containing protein	0.004	0.1472	0.3474
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.004	0.1472	0.3474
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.004	0.1472	0.3342
Brugia malayi	Cathepsin L-like precursor	0.004	0.1472	0.3474
Schistosoma mansoni	cathepsin F (C01 family)	0.004	0.1472	0.3474
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.004	0.1472	0.3342
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Brugia malayi	Cathepsin L-like precursor	0.004	0.1472	0.3474
Echinococcus granulosus	cathepsin l cysteine peptidase	0.004	0.1472	0.3474
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0468	0.3182
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Onchocerca volvulus		0.004	0.1472	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1557	0.3674
Schistosoma mansoni	cathepsin F (C01 family)	0.004	0.1472	0.3474
Brugia malayi	Cathepsin L-like precursor	0.004	0.1472	0.3474
Brugia malayi	TAR-binding protein	0.0076	0.4236	1
Entamoeba histolytica	cysteine proteinase, putative	0.004	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.4236	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Brugia malayi	RNA binding protein	0.0076	0.4236	1
Onchocerca volvulus		0.004	0.1472	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.004	0.1472	0.2663
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Echinococcus multilocularis	cysteine protease	0.004	0.1472	0.3474
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Trypanosoma cruzi	cysteine peptidase, putative	0.004	0.1472	0.1472
Leishmania major	cathepsin L-like protease	0.0153	1	1
Brugia malayi	cathepsin L-like precursor	0.0027	0.0468	0.1105
Loa Loa (eye worm)	hypothetical protein	0.006	0.3001	0.6721
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0153	1	1
Giardia lamblia	NADPH oxidoreductase, putative	0.0079	0.4404	0.5
Schistosoma mansoni	hypothetical protein	0.0041	0.1557	0.3674
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0139	0.8997	0.8997
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.004	0.1472	0.3342
Onchocerca volvulus	Cathepsin F homolog	0.004	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0468	0.1063
Onchocerca volvulus	Cathepsin L homolog	0.004	0.1472	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1557	0.2888
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.004	0.1472	0.3342
Loa Loa (eye worm)	fibroinase	0.004	0.1472	0.2663
Echinococcus multilocularis	cysteine protease	0.004	0.1472	0.3474
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.4404	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4236	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.004	0.1472	0.3342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0468	0.1063

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.8584 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
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	39.8107 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1325525

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 1246035