TDR Targets

Basic information

Technical information

TDR Targets ID: 909762
Name: methyl 2-[[3-(2-chlorophenyl)-5-methyl1,2-oxa zole-4-carbonyl]amino]-5-(diethylcarbamoyl)-4 -methylthiophene-3-carboxylate
MW: 489.972 | Formula: C23H24ClN3O5S
H donors: 1 H acceptors: 4 LogP: 5.2 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)c1c(C)onc1c1ccccc1Cl)CC
InChi: 1S/C23H24ClN3O5S/c1-6-27(7-2)22(29)19-12(3)16(23(30)31-5)21(33-19)25-20(28)17-13(4)32-26-18(17)14-10-8-9-11-15(14)24/h8-11H,6-7H2,1-5H3,(H,25,28)
InChiKey: MJTXMMDQEDPOEN-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

methyl 2-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate
2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-5-(diethylamino-oxomethyl)-4-methyl-3-thiophenecarboxylic acid methyl ester
2-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester
methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate
ZINC00997708
ChemDiv1_005548
AK-968/12267035
IVK/8092928
Oprea1_598787

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
Onchocerca volvulus		0.0065	0.0477	0.0834
Loa Loa (eye worm)	ctsf protein	0.0065	0.0477	0.0755
Plasmodium vivax	vivapain-2	0.0065	0.0477	0.5
Onchocerca volvulus		0.0065	0.0477	0.0834
Brugia malayi	Matrixin family protein	0.0137	0.205	0.324
Brugia malayi	Cathepsin L-like precursor	0.0065	0.0477	0.0755
Onchocerca volvulus	Matrilysin homolog	0.0303	0.5723	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Leishmania major	cathepsin L-like protease	0.0065	0.0477	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0477	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0477	0.0755
Loa Loa (eye worm)	matrixin family protein	0.0303	0.5723	0.9047
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0477	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0166	0.2707	0.4279
Loa Loa (eye worm)	matrixin family protein	0.033	0.6326	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0477	1
Brugia malayi	Cathepsin L-like precursor	0.0065	0.0477	0.0755
Toxoplasma gondii	cathepsin CPL	0.0065	0.0477	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Onchocerca volvulus		0.0065	0.0477	0.0834
Echinococcus granulosus	cathepsin l1	0.0065	0.0477	0.0477
Trypanosoma cruzi	cruzipain precursor, putative	0.0065	0.0477	1
Brugia malayi	Hemopexin family protein	0.0194	0.331	0.5232
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0477	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0065	0.0477	0.0477
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0065	0.0477	0.5
Loa Loa (eye worm)	fibroinase	0.0065	0.0477	0.0755
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Leishmania major	cathepsin L-like protease	0.0065	0.0477	0.5
Leishmania major	cathepsin L-like protease	0.0065	0.0477	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0477	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Brugia malayi	Cathepsin L-like precursor	0.0065	0.0477	0.0755
Brugia malayi	Cathepsin L-like precursor	0.0065	0.0477	0.0755
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0065	0.0477	0.0755
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2707	0.4279
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Loa Loa (eye worm)	matrix metalloproteinase	0.0137	0.205	0.324
Brugia malayi	Papain family cysteine protease containing protein	0.0065	0.0477	0.0755
Leishmania major	cathepsin L-like protease	0.0065	0.0477	0.5
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0137	0.205	0.6192
Brugia malayi	Cathepsin L-like precursor	0.0065	0.0477	0.0755
Brugia malayi	Cathepsin L-like precursor	0.0065	0.0477	0.0755
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0477	1
Entamoeba histolytica	cysteine protease, putative	0.0065	0.0477	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0065	0.0477	0.0755
Brugia malayi	Matrixin family protein	0.0137	0.205	0.324
Brugia malayi	Matrixin family protein	0.0137	0.205	0.324
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0065	0.0477	1
Onchocerca volvulus		0.0137	0.205	0.3581
Loa Loa (eye worm)	cysteine protease	0.0065	0.0477	0.0755
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0065	0.0477	1
Schistosoma mansoni	hypothetical protein	0.0194	0.331	1
Entamoeba histolytica	cysteine proteinase, putative	0.0065	0.0477	1
Leishmania major	cathepsin L-like protease	0.0065	0.0477	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0065	0.0477	0.5
Onchocerca volvulus		0.0065	0.0477	0.0834
Loa Loa (eye worm)	hypothetical protein	0.0137	0.205	0.324
Brugia malayi	Matrixin family protein	0.033	0.6326	1
Brugia malayi	Matrixin family protein	0.0137	0.205	0.324
Mycobacterium ulcerans	hydrolase	0.0166	0.2707	0.5
Loa Loa (eye worm)	hypothetical protein	0.0137	0.205	0.324
Onchocerca volvulus		0.0065	0.0477	0.0834
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0477	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0065	0.0477	0.1442
Onchocerca volvulus	Matrilysin homolog	0.0137	0.205	0.3581
Onchocerca volvulus		0.0065	0.0477	0.0834
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0065	0.0477	0.0477
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0477	1
Onchocerca volvulus		0.0194	0.331	0.5784
Onchocerca volvulus	Cathepsin L homolog	0.0065	0.0477	0.0834
Leishmania major	cathepsin L-like protease	0.0065	0.0477	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0166	0.2707	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0477	1
Plasmodium vivax	vivapain-2	0.0065	0.0477	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0065	0.0477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0477	1
Leishmania major	cathepsin L-like protease	0.0065	0.0477	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Loa Loa (eye worm)	hypothetical protein	0.0137	0.205	0.324
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0497	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0477	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0065	0.0477	0.1442
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0303	0.5723	1
Onchocerca volvulus	Cathepsin F homolog	0.0065	0.0477	0.0834
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Leishmania major	cysteine peptidase A (CPA)	0.0065	0.0477	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0065	0.0477	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0065	0.0477	0.0834
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0477	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0477	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0477	0.5
Onchocerca volvulus		0.0065	0.0477	0.0834
Mycobacterium leprae	PROBABLE HYDROLASE	0.0166	0.2707	0.5
Leishmania major	cathepsin L-like protease	0.0065	0.0477	0.5

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 909762