TDR Targets

Basic information

Technical information

TDR Targets ID: 828507
Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-[[(4-et hylphenyl)methylamino]methyl]-2,5-dimethylpyr role-3-carboxylic acid
MW: 428.927 | Formula: C24H26ClFN2O2
H donors: 2 H acceptors: 2 LogP: 2.69 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)CNCc1c(C)n(c(c1C(=O)O)C)Cc1ccc(cc1Cl)F
InChi: 1S/C24H26ClFN2O2/c1-4-17-5-7-18(8-6-17)12-27-13-21-15(2)28(16(3)23(21)24(29)30)14-19-9-10-20(26)11-22(19)25/h5-11,27H,4,12-14H2,1-3H3,(H,29,30)
InChiKey: QJVJUFXADADJAM-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

1-[(2-chloro-4-fluoro-phenyl)methyl]-4-[[(4-ethylphenyl)methylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-4-[[(4-ethylphenyl)methylamino]methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid
1-(2-chloro-4-fluoro-benzyl)-4-[[(4-ethylbenzyl)amino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid

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
Schistosoma mansoni	laminin gamma-3 chain	0.0054	0.0999	0.0999
Brugia malayi	GCC2 and GCC3 family protein	0.0054	0.0999	0.0912
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0098	0.0036
Brugia malayi	Animal haem peroxidase family protein	0.0498	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0054	0.0999	0.0912
Onchocerca volvulus	Peroxidasin homolog	0.0498	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.122	0.1165
Schistosoma mansoni	cell polarity protein	0.0054	0.0999	0.0999
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0054	0.0999	0.0912
Brugia malayi	EGF-like domain containing protein	0.0054	0.0999	0.0912
Echinococcus granulosus	neural cadherin	0.0054	0.0999	0.0943
Schistosoma mansoni	notch	0.0054	0.0999	0.0999
Schistosoma mansoni	hypothetical protein	0.0054	0.0999	0.0999
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Brugia malayi	notch-like transmembrane receptor	0.0054	0.0999	0.0912
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Onchocerca volvulus		0.0498	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Onchocerca volvulus		0.0054	0.0999	0.0519
Brugia malayi	Muscle positioning protein 4	0.0054	0.0999	0.0912
Loa Loa (eye worm)	animal heme peroxidase	0.0498	1	1
Schistosoma mansoni	hypothetical protein	0.0054	0.0999	0.0999
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0049	0.5
Brugia malayi	Peroxidasin	0.0498	1	1
Schistosoma mansoni	slit	0.0054	0.0999	0.0999
Echinococcus granulosus	neurogenic locus notch protein	0.0054	0.0999	0.0943
Schistosoma mansoni	hypothetical protein	0.0054	0.0999	0.0999
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0049	0.5
Schistosoma mansoni	hypothetical protein	0.0054	0.0999	0.0999
Echinococcus granulosus	delta-like protein 1	0.0054	0.0999	0.0943
Echinococcus granulosus	protein jagged 2	0.0054	0.0999	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0049	0.5
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0498	1	1
Echinococcus granulosus	tar DNA binding protein	0.0064	0.122	0.1165
Brugia malayi	Calcium binding EGF domain containing protein	0.0054	0.0999	0.0912
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Schistosoma mansoni	peroxidasin	0.0498	1	1
Onchocerca volvulus		0.0498	1	1
Schistosoma mansoni	notch	0.0054	0.0999	0.0999
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Brugia malayi	EGF-like domain containing protein	0.0054	0.0999	0.0912
Echinococcus multilocularis	protein jagged 1	0.0054	0.0999	0.0943
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0054	0.0999	0.0519
Echinococcus multilocularis	neural cadherin	0.0054	0.0999	0.0943
Onchocerca volvulus		0.0498	1	1
Echinococcus granulosus	protein jagged 1	0.0054	0.0999	0.0943
Brugia malayi	Delta serrate ligand family protein	0.0054	0.0999	0.0912
Brugia malayi	Cadherin domain containing protein	0.0054	0.0999	0.0912
Brugia malayi	EGF-like domain containing protein	0.0054	0.0999	0.0912
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.122	0.122
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0049	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0049	0.5
Trichomonas vaginalis	helicase, putative	0.0007	0.0049	0.5
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0054	0.0999	0.0999
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0062	0.0062
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0507	0.0413
Onchocerca volvulus		0.0054	0.0999	0.0519
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0049	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0049	0.5
Onchocerca volvulus	Peroxidase homolog	0.0498	1	1
Brugia malayi	EGF-like domain containing protein	0.0054	0.0999	0.0912
Onchocerca volvulus		0.0054	0.0999	0.0519
Brugia malayi	Animal haem peroxidase family protein	0.0498	1	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0098	0.0036
Loa Loa (eye worm)	animal heme peroxidase	0.0498	1	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0054	0.0999	0.0943
Schistosoma mansoni	notch	0.0054	0.0999	0.0999
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0049	0.5
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Onchocerca volvulus	Peroxidasin homolog	0.0498	1	1
Schistosoma mansoni	peroxidasin	0.0498	1	1
Echinococcus multilocularis	cpg binding protein	0.0031	0.0541	0.0481
Brugia malayi	EGF-like domain containing protein	0.0054	0.0999	0.0912
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0054	0.0999	0.0943
Loa Loa (eye worm)	animal heme peroxidase	0.0498	1	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.1036	1
Brugia malayi	RNA binding protein	0.0064	0.122	0.1135
Loa Loa (eye worm)	notch protein	0.0054	0.0999	0.091
Schistosoma mansoni	hypothetical protein	0.0054	0.0999	0.0999
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0049	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0049	0.5
Echinococcus granulosus	protein jagged 1	0.0054	0.0999	0.0943
Brugia malayi	Animal haem peroxidase family protein	0.0498	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0049	0.5
Brugia malayi	EGF-like domain containing protein	0.0054	0.0999	0.0912
Schistosoma mansoni	septate junction protein	0.0054	0.0999	0.0999
Echinococcus granulosus	neurogenic locus notch protein	0.0054	0.0999	0.0943
Giardia lamblia	High cysteine protein	0.0054	0.0999	0.5
Schistosoma mansoni	notch	0.0054	0.0999	0.0999
Echinococcus multilocularis	fibropellin Ia	0.0054	0.0999	0.0943
Schistosoma mansoni	hypothetical protein	0.0054	0.0999	0.0999
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0049	0.5
Onchocerca volvulus	Putative cubilin	0.0054	0.0999	0.0519
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0049	0.5
Echinococcus multilocularis	neurogenic locus notch protein	0.0054	0.0999	0.0943
Echinococcus granulosus	protein jagged 2	0.0054	0.0999	0.0943
Brugia malayi	EGF-like domain containing protein	0.0054	0.0999	0.0912
Loa Loa (eye worm)	RNA binding protein	0.0064	0.122	0.1133
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0541	0.0541
Echinococcus multilocularis	protein jagged 2	0.0054	0.0999	0.0943
Schistosoma mansoni	notch	0.0054	0.0999	0.0999
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.117	0.117
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0049	0.5
Onchocerca volvulus		0.0054	0.0999	0.0519
Echinococcus multilocularis	notch	0.0054	0.0999	0.0943
Echinococcus multilocularis	protein jagged 1	0.0054	0.0999	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Onchocerca volvulus		0.0054	0.0999	0.0519
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.122	0.1133
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.122	0.1133
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.122	0.122
Onchocerca volvulus	Chorion peroxidase homolog	0.0498	1	1
Echinococcus multilocularis	peroxidasin	0.0498	1	1
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0054	0.0999	0.0943
Loa Loa (eye worm)	animal heme peroxidase	0.0498	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Onchocerca volvulus	Peroxidase homolog	0.0498	1	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0507	0.0507
Schistosoma mansoni	cpg binding protein	0.0031	0.0541	0.0541
Brugia malayi	Cadherin domain containing protein	0.0054	0.0999	0.0912
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.122	0.122
Echinococcus granulosus	neurogenic locus notch protein 4	0.0054	0.0999	0.0943
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0049	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0498	1	1
Brugia malayi	Blistered cuticle protein 3	0.0498	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.122	0.1135
Echinococcus granulosus	cpg binding protein	0.0031	0.0541	0.0481
Schistosoma mansoni	hypothetical protein	0.0054	0.0999	0.0999
Brugia malayi	TAR-binding protein	0.0064	0.122	0.1135
Brugia malayi	Calcium binding EGF domain containing protein	0.0054	0.0999	0.0912
Echinococcus multilocularis	slit 2 protein	0.0054	0.0999	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Schistosoma mansoni	notch	0.0054	0.0999	0.0999
Echinococcus granulosus	slit 2 protein	0.0054	0.0999	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0507	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Onchocerca volvulus	Neurogenic locus notch homolog	0.0054	0.0999	0.0519
Echinococcus granulosus	peroxidasin	0.0498	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Onchocerca volvulus	Dual oxidase homolog	0.0498	1	1
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Loa Loa (eye worm)	Notch2	0.0054	0.0999	0.091
Loa Loa (eye worm)	blistered cuticle protein 3	0.0498	1	1
Echinococcus granulosus	neurogenic locus protein delta	0.0054	0.0999	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.122	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0049	0.5
Echinococcus granulosus	notch	0.0054	0.0999	0.0943
Onchocerca volvulus	Slit protein homolog	0.0054	0.0999	0.0519
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.122	0.122
Echinococcus granulosus	fibropellin Ia	0.0054	0.0999	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0054	0.0999	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0049	0.5
Loa Loa (eye worm)	hypothetical protein	0.0498	1	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0054	0.0999	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0999	0.091

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 828507