TDR Targets

Basic information

Technical information

TDR Targets ID: 446522
Name: [4-(3,5-dichloropyridin-2-yl)oxyphenyl] pyrro lidine-1-carboxylate
MW: 353.2 | Formula: C16H14Cl2N2O3
H donors: 0 H acceptors: 2 LogP: 4.22 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cnc(c(c1)Cl)Oc1ccc(cc1)OC(=O)N1CCCC1
InChi: 1S/C16H14Cl2N2O3/c17-11-9-14(18)15(19-10-11)22-12-3-5-13(6-4-12)23-16(21)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2
InChiKey: VEXLNIRUECRPJS-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

[4-[(3,5-dichloro-2-pyridyl)oxy]phenyl] pyrrolidine-1-carboxylate
1-pyrrolidinecarboxylic acid [4-[(3,5-dichloro-2-pyridyl)oxy]phenyl] ester
pyrrolidine-1-carboxylic acid [4-[(3,5-dichloro-2-pyridyl)oxy]phenyl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lipase, hormone-sensitive	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Hormone-sensitive lipase, putative	Get druggable targets OG5_132840	All targets in OG5_132840
Schistosoma japonicum	ko:K07188 hormone-sensitive lipase [EC3.1.1.79], putative	Get druggable targets OG5_132840	All targets in OG5_132840
Schistosoma japonicum	Hormone-sensitive lipase, putative	Get druggable targets OG5_132840	All targets in OG5_132840
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	Get druggable targets OG5_132840	All targets in OG5_132840
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	Get druggable targets OG5_132840	All targets in OG5_132840
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus granulosus	hormone sensitive lipase	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus multilocularis	hormone sensitive lipase	Get druggable targets OG5_132840	All targets in OG5_132840
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132840	All targets in OG5_132840

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
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0051	0.0498	1
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0498	0.5
Echinococcus granulosus	intermediate filament protein	0.0026	0.0175	0.0415
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.004	0.0094
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0175	0.0565
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0018	0.0058
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0051	0.0498	0.0498
Giardia lamblia	Kinase, CMGC MAPK	0.0051	0.0498	1
Brugia malayi	intermediate filament protein	0.0026	0.0175	0.327
Plasmodium falciparum	ABC transporter G family member 2	0.0033	0.0256	0.5
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0051	0.0498	1
Loa Loa (eye worm)	ABC transporter	0.0028	0.0193	0.0623
Echinococcus multilocularis	musashi	0.0026	0.0175	0.0175
Schistosoma mansoni	hypothetical protein	0.034	0.4213	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0253	0.3094	0.7317
Echinococcus granulosus	hormone sensitive lipase	0.0253	0.3094	0.7342
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0498	0.5
Echinococcus granulosus	ATP binding cassette sub family G	0.0033	0.0256	0.0609
Echinococcus multilocularis	ATP binding cassette sub family G	0.0033	0.0256	0.0256
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0033	0.0256	0.5
Schistosoma mansoni	hypothetical protein	0.034	0.4213	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0275	0.0889
Echinococcus multilocularis	lamin	0.0026	0.0175	0.0175
Echinococcus granulosus	lamin dm0	0.0026	0.0175	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0016	0.004	0.0128
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0498	0.1098
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0478	0.1545
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0498	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0175	0.0175
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0253	0.3094	0.7317
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0051	0.0498	1
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0498	0.5
Echinococcus multilocularis	ATP binding cassette sub family G	0.0033	0.0256	0.0256
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0478	0.9584
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0175	0.327
Echinococcus granulosus	mitogen activated protein kinase 3	0.0051	0.0498	0.1181
Schistosoma mansoni	hypothetical protein	0.0027	0.0188	0.0355
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0175	0.0324
Schistosoma mansoni	ABC transporter	0.0028	0.0193	0.0367
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0175	0.0565
Echinococcus multilocularis	GPCR, family 2	0.0016	0.004	0.004
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0478	0.9584
Schistosoma mansoni	hypothetical protein	0.0034	0.0275	0.0564
Echinococcus granulosus	GPCR family 2	0.0016	0.004	0.0094
Echinococcus granulosus	ATP binding cassette sub family G	0.0033	0.0256	0.0609
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.004	0.0453
Trypanosoma brucei	protein kinase, putative	0.0051	0.0498	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.004	0.0094
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0498	1
Echinococcus granulosus	mitogen activated protein kinase	0.0051	0.0498	0.1181
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0275	0.5358
Entamoeba histolytica	ABC transporter, putative	0.0033	0.0256	0.5
Mycobacterium tuberculosis	Probable conserved transmembrane ATP-binding protein ABC transporter	0.0027	0.0188	0.5
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0051	0.0498	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0051	0.0498	0.0498
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0033	0.0256	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0169	0.0545
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.004	0.0128
Plasmodium vivax	ABC transporter G family member 2, putative	0.0033	0.0256	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.004	0.004
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0498	0.5
Echinococcus granulosus	lamin	0.0026	0.0175	0.0415
Echinococcus multilocularis	hormone sensitive lipase	0.0253	0.3094	0.3094
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.004	0.0453
Schistosoma mansoni	lamin	0.0026	0.0175	0.0324
Echinococcus multilocularis	geminin	0.034	0.4213	0.4213
Brugia malayi	ABC transporter family protein	0.0028	0.0193	0.3642
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0253	0.3094	0.7317
Loa Loa (eye worm)	hypothetical protein	0.005	0.0478	0.1545
Brugia malayi	MAP kinase sur-1	0.0051	0.0498	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.004	0.004
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0051	0.0498	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0051	0.0498	1
Loa Loa (eye worm)	hypothetical protein	0.0253	0.3094	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0033	0.0256	0.0609
Schistosoma mansoni	lamin	0.0026	0.0175	0.0324
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0033	0.0256	0.5
Echinococcus granulosus	geminin	0.034	0.4213	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0175	0.0565
Onchocerca volvulus		0.0026	0.0175	0.5
Onchocerca volvulus		0.0026	0.0175	0.5
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0033	0.0256	0.0519
Echinococcus multilocularis	ATP binding cassette sub family G	0.0033	0.0256	0.0256
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0051	0.0498	0.1609

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.9 uM	Inhibition of recombinant human hormone-sensitive lipase	ChEMBL.	17918819
IC50 (binding)	= 3.9 uM	Inhibition of recombinant human hormone-sensitive lipase	ChEMBL.	17918819
IC50 (binding)	> 50 uM	Inhibition of acetylcholine esterase	ChEMBL.	17918819
IC50 (binding)	> 50 uM	Inhibition of butyrylcholine esterase	ChEMBL.	17918819
IC50 (binding)	> 50 uM	Inhibition of acetylcholine esterase	ChEMBL.	17918819
IC50 (binding)	> 50 uM	Inhibition of butyrylcholine esterase	ChEMBL.	17918819

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: CHEMBL236173
PubChem: 23635768

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 446522