TDR Targets

Basic information

Technical information

TDR Targets ID: 673689
Name: methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4- (4-fluorophenyl)thiophene-3-carboxylate
MW: 403.854 | Formula: C20H15ClFNO3S
H donors: 1 H acceptors: 2 LogP: 5.47 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)Cc1ccc(cc1)Cl
InChi: 1S/C20H15ClFNO3S/c1-26-20(25)18-16(13-4-8-15(22)9-5-13)11-27-19(18)23-17(24)10-12-2-6-14(21)7-3-12/h2-9,11H,10H2,1H3,(H,23,24)
InChiKey: GNVDUKBXISVFKR-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

2-[[2-(4-chlorophenyl)-1-oxoethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester
2-[[2-(4-chlorophenyl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester
methyl 2-[2-(4-chlorophenyl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate
ZINC02767379
IVK/9238959
Oprea1_032313

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
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0	0.5
Loa Loa (eye worm)	beta-lactamase	0.0076	0.0754	0.1758
Echinococcus granulosus	muscleblind protein	0.0297	0.3872	0.3826
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0754	0.0672
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0754	0.1799
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0754	0.1799
Leishmania major	mitochondrial DNA polymerase beta	0.0296	0.3859	1
Mycobacterium ulcerans	hypothetical protein	0.0076	0.0754	0.4014
Leishmania major	DNA polymerase eta, putative	0.0044	0.0296	0.0768
Echinococcus multilocularis	muscleblind protein	0.0297	0.3872	0.3816
Echinococcus multilocularis	tar DNA binding protein	0.0264	0.3415	0.3356
Loa Loa (eye worm)	RNA binding protein	0.0264	0.3415	0.8792
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0264	0.3415	0.8792
Onchocerca volvulus		0.0232	0.2957	1
Schistosoma mansoni	DNA polymerase eta	0.0044	0.0296	0.0209
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0754	0.1149
Mycobacterium leprae	Probable lipase LipE	0.0076	0.0754	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0263	0.3404	0.8762
Echinococcus granulosus	inositol monophosphatase 1	0.0042	0.0271	0.0198
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0264	0.0407
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0042	0.0271	0.3594
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.0271	0.0425
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0754	0.1149
Toxoplasma gondii	ABC1 family protein	0.0076	0.0754	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0076	0.0754	0.1149
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0076	0.0754	0.1758
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0076	0.0754	0.1758
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.2957	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0296	0.3859	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0264	0.0407
Onchocerca volvulus		0.0107	0.1187	0.3828
Mycobacterium ulcerans	hypothetical protein	0.0156	0.188	1
Schistosoma mansoni	tar DNA-binding protein	0.0264	0.3415	0.3363
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0487	0.6565	1
Echinococcus granulosus	dna polymerase eta	0.0044	0.0296	0.0224
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0076	0.0754	0.0671
Echinococcus multilocularis	microtubule associated protein 2	0.0728	0.9979	0.9979
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0038	0.0209	0.2768
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0754	0.1758
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0754	0.1799
Echinococcus multilocularis	dna polymerase eta	0.0044	0.0296	0.0209
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0754	0.1149
Echinococcus granulosus	tar DNA binding protein	0.0264	0.3415	0.3366
Schistosoma mansoni	cellular tumor antigen P53	0.0107	0.1187	0.111
Brugia malayi	Pre-SET motif family protein	0.0204	0.2559	0.6528
Echinococcus multilocularis	inositol monophosphatase 1	0.0042	0.0271	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0427	0.0893
Brugia malayi	TAR-binding protein	0.0264	0.3415	0.8792
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0076	0.0754	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0754	0.1758
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0754	0.1758
Mycobacterium tuberculosis	Probable lipase LipD	0.0076	0.0754	0.1149
Mycobacterium ulcerans	esterase/lipase LipP	0.0076	0.0754	0.4014
Schistosoma mansoni	hypothetical protein	0.0036	0.019	0.0101
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0112	0.1483
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.019	0.0264
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.0271	0.0425
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.0296	0.0546
Schistosoma mansoni	tar DNA-binding protein	0.0264	0.3415	0.3363
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.0296	0.0492
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0042	0.0271	0.1443
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.014	0.1656	0.4291
Loa Loa (eye worm)	transcription factor SMAD2	0.0263	0.3404	0.8762
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0038	0.0209	0.0318
Brugia malayi	RNA binding protein	0.0264	0.3415	0.8792
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0156	0.188	0.2863
Echinococcus multilocularis	tumor protein p63	0.073	1	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0264	0.0685
Brugia malayi	Inositol-1	0.0042	0.0271	0.048
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.009	0.1187
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.0271	0.0703
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0081	0.0828	0.0745
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0296	0.0546
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.0271	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0036	0.019	0.0264
Echinococcus granulosus	L aminoadipate semialdehyde	0.0081	0.0828	0.0759
Echinococcus granulosus	beta LACTamase domain containing family member	0.0076	0.0754	0.0685
Mycobacterium tuberculosis	Probable esterase LipL	0.0076	0.0754	0.1149
Echinococcus granulosus	microtubule associated protein 2	0.0728	0.9979	0.9979
Loa Loa (eye worm)	hypothetical protein	0.0297	0.3872	1
Schistosoma mansoni	tar DNA-binding protein	0.0264	0.3415	0.3363
Onchocerca volvulus		0.0076	0.0754	0.2319
Trichomonas vaginalis	esterase, putative	0.0076	0.0754	0.1799
Plasmodium vivax	hypothetical protein, conserved	0.0076	0.0754	1
Loa Loa (eye worm)	TAR-binding protein	0.0264	0.3415	0.8792
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0296	0.3859	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0427	0.0893
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.009	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0754	0.1758
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0081	0.0828	0.1951
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0828	0.1951
Schistosoma mansoni	inositol monophosphatase	0.0042	0.0271	0.0184
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0754	0.1799
Schistosoma mansoni	tar DNA-binding protein	0.0264	0.3415	0.3363
Schistosoma mansoni	tar DNA-binding protein	0.0264	0.3415	0.3363
Echinococcus multilocularis	muscleblind protein 1	0.0297	0.3872	0.3816
Mycobacterium tuberculosis	Probable hydrolase	0.0076	0.0754	0.1149
Mycobacterium ulcerans	lipase LipD	0.0076	0.0754	0.4014
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.1656	0.4291
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0754	0.1758
Leishmania major	DNA polymerase eta, putative	0.0031	0.0112	0.029
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0296	0.3859	1
Brugia malayi	beta-lactamase family protein	0.0076	0.0754	0.1758
Loa Loa (eye worm)	inositol-1	0.0042	0.0271	0.048
Brugia malayi	RNA recognition motif domain containing protein	0.0264	0.3415	0.8792
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.0296	0.0768
Schistosoma mansoni	microtubule-associated protein tau	0.0728	0.9979	1
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0081	0.0828	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0297	0.3872	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0076	0.0754	0.1149
Trypanosoma brucei	hypothetical protein, conserved	0.0076	0.0754	0.1955
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0076	0.0754	0.4014
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1187	0.2902
Mycobacterium leprae	conserved hypothetical protein	0.0076	0.0754	1
Brugia malayi	beta-lactamase	0.0076	0.0754	0.1758
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0427	0.0893
Onchocerca volvulus		0.0081	0.0828	0.2574
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0754	0.1758
Onchocerca volvulus		0.0076	0.0754	0.2319
Brugia malayi	Muscleblind-like protein	0.0297	0.3872	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0076	0.0754	0.1149
Brugia malayi	MH2 domain containing protein	0.0263	0.3404	0.8762
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0042	0.0271	1
Mycobacterium ulcerans	beta-lactamase	0.0076	0.0754	0.4014
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0754	0.0672
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0264	0.0407
Plasmodium vivax	SET domain protein, putative	0.0029	0.009	0.1187
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0427	0.0893
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.0754	0.1715
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0042	0.0271	1
Toxoplasma gondii	hypothetical protein	0.0048	0.0351	0.465
Onchocerca volvulus		0.0076	0.0754	0.2319
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0754	0.1799
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.0754	0.1715
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0393	0.075
Brugia malayi	beta-lactamase family protein	0.0076	0.0754	0.1758
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.2559	0.6528
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.1656	0.412
Schistosoma mansoni	inositol monophosphatase	0.0042	0.0271	0.0184
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0	0.5
Leishmania major	hypothetical protein, conserved	0.0076	0.0754	0.1955

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 673689