TDR Targets

Basic information

Technical information

TDR Targets ID: 623463
Name: N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-ox adiazol-2-yl]sulfanyl]acetamide
MW: 347.432 | Formula: C17H21N3O3S
H donors: 1 H acceptors: 3 LogP: 3.38 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)c1nnc(o1)SCC(=O)NC1CCCCC1
InChi: 1S/C17H21N3O3S/c1-22-14-9-5-6-12(10-14)16-19-20-17(23-16)24-11-15(21)18-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,18,21)
InChiKey: CTMTXMNQEMVVSZ-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-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide
ZINC02720303
C292-0109
NCGC00107090-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	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	RNA recognition motif domain containing 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
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing 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)	RNA 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
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
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
Loa Loa (eye worm)	TAR-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
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma mansoni	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
Brugia malayi	TAR-binding protein	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

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
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0238	0.2571
Trichomonas vaginalis	hypothetical protein	0.022	0.7516	0.7516
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.2769	0.4938
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0151	0.4964	0.5705
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0926	0.0956
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0151	0.4964	0.5705
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0926	0.1065
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.1092	0.1948
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0238	0.2571
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0648	0.1157
Plasmodium vivax	SET domain protein, putative	0.0036	0.0648	0.0863
Schistosoma mansoni	hypothetical protein	0.0048	0.1092	0.1948
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.2769	0.4938
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0926	0.0956
Brugia malayi	Pre-SET motif family protein	0.0036	0.0648	0.0745
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0238	0.0317
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.022	0.7516	0.5
Brugia malayi	beta-lactamase	0.0043	0.0926	0.1065
Echinococcus multilocularis	geminin	0.0169	0.5607	1
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.022	0.7516	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.9691	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.8701	1
Onchocerca volvulus		0.0043	0.0926	0.0297
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0648	0.1157
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.1092	0.1255
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.2769	0.4938
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0926	0.1233
Brugia malayi	Pre-SET motif family protein	0.0251	0.8701	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2161	0.3855
Toxoplasma gondii	ABC1 family protein	0.0043	0.0926	0.1233
Loa Loa (eye worm)	hypothetical protein	0.0104	0.3172	0.3645
Brugia malayi	TAR-binding protein	0.0076	0.2161	0.2484
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2161	0.3855
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.022	0.7516	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2161	0.2484
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0926	0.0926
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0926	0.1065
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0926	0.1652
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2161	0.3855
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0926	0.1652
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0926	0.1233
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0648	0.1157
Entamoeba histolytica	hypothetical protein	0.0038	0.0709	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.2769	0.4938
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0926	0.1233
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0926	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0648	0.1157
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2161	0.3855
Trichomonas vaginalis	esterase, putative	0.0043	0.0926	0.0926
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0926	0.1065
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0648	0.1157
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0238	0.0317
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0648	0.1157
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0926	0.0956
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0926	0.0926
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0926	0.0926
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.1092	0.1948
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0238	0.0274
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0599	0.1068
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.022	0.7516	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1092	0.1255
Trichomonas vaginalis	set domain proteins, putative	0.0286	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2161	0.3855
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0926	0.0956
Brugia malayi	RNA binding protein	0.0076	0.2161	0.2484
Loa Loa (eye worm)	hypothetical protein	0.0151	0.4964	0.5705
Schistosoma mansoni	hypothetical protein	0.0104	0.3172	0.5657
Onchocerca volvulus		0.0043	0.0926	0.0297
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.1092	0.1948
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0926	0.0956
Brugia malayi	latrophilin 2 splice variant baaae	0.0104	0.3172	0.3645
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2161	0.2484
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0151	0.4964	0.5705
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0926	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0926	0.1233
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0926	0.1652
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0926	0.0956
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2161	0.2484
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.2769	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0926	0.1065
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0	0.5
Brugia malayi	hypothetical protein	0.0038	0.0709	0.0815
Onchocerca volvulus		0.0043	0.0926	0.0297
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.1092	0.1948
Schistosoma mansoni	hypothetical protein	0.0048	0.1092	0.1948
Echinococcus granulosus	geminin	0.0169	0.5607	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0926	0.0956
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0926	0.0956
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.022	0.7516	1
Schistosoma mansoni	hypothetical protein	0.0048	0.1092	0.1948
Schistosoma mansoni	hypothetical protein	0.0038	0.0709	0.1265
Echinococcus granulosus	GPCR family 2	0.0048	0.1092	0.1948
Schistosoma mansoni	hypothetical protein	0.0169	0.5607	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0238	0.2571
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0709	0.1265
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.2769	0.4938
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.1092	0.1255
Brugia malayi	beta-lactamase family protein	0.0043	0.0926	0.1065
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0926	0.0926
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0238	0.0317
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0238	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0926	0.1065
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0926	0.0956
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0926	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2161	0.3855
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0926	0.1065
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.1092	0.1255
Entamoeba histolytica	hypothetical protein	0.0038	0.0709	1
Mycobacterium ulcerans	lipase LipD	0.0043	0.0926	0.1233
Brugia malayi	beta-lactamase family protein	0.0043	0.0926	0.1065
Plasmodium falciparum	enoyl-acyl carrier reductase	0.022	0.7516	1
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0926	0.1233
Schistosoma mansoni	hypothetical protein	0.0048	0.1092	0.1948
Entamoeba histolytica	hypothetical protein	0.0038	0.0709	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.2769	0.4938
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0926	0.1652
Schistosoma mansoni	hypothetical protein	0.0169	0.5607	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.2769	0.4938
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0926	0.0926
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0648	0.0863
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0238	0.2571
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.022	0.7516	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2161	0.2484
Leishmania major	hypothetical protein, conserved	0.0043	0.0926	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0709	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0926	0.1065
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0648	0.0745
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2161	0.3855
Entamoeba histolytica	hypothetical protein	0.0038	0.0709	1
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0926	0.1065
Echinococcus multilocularis	GPCR, family 2	0.0048	0.1092	0.1948
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0926	0.1065
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.2769	0.3182
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0709	0.1265
Brugia malayi	hypothetical protein	0.0025	0.0238	0.0274
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.022	0.7516	0.7756
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0926	0.0956
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0648	0.1157

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.9125 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	30.1313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	35.4813 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 (binding)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference

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: CHEMBL1327015
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 623463