Detailed information for compound 317725

Basic information

Technical information
  • TDR Targets ID: 317725
  • Name: 2-chloro-5-[[(2R)-2,5-dihydro-1H-pyrrol-2-yl] methoxy]pyridine
  • MW: 210.66 | Formula: C10H11ClN2O
  • H donors: 1 H acceptors: 1 LogP: 1.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cn1)OC[C@H]1C=CCN1
  • InChi: 1S/C10H11ClN2O/c11-10-4-3-9(6-13-10)14-7-8-2-1-5-12-8/h1-4,6,8,12H,5,7H2/t8-/m1/s1
  • InChiKey: OIOGDOZURIRVFV-MRVPVSSYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-5-[[(2R)-3-pyrrolin-2-yl]methoxy]pyridine

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus carboxylesterase 5A 0.0098 0.1176 0.1961
Onchocerca volvulus 0.0322 0.4433 1
Loa Loa (eye worm) VRS-2 protein 0.0072 0.0801 0.1336
Schistosoma mansoni isoleucine--tRNA ligase 0.043 0.5997 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.1325 0.2209
Schistosoma mansoni leucyl-tRNA synthetase 0.0072 0.0801 0.1336
Loa Loa (eye worm) hypothetical protein 0.0098 0.1176 0.1961
Echinococcus granulosus valyl tRNA synthetase 0.0179 0.2365 0.3944
Echinococcus multilocularis nmda type glutamate receptor 0.0062 0.0662 0.1103
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0017 0.001 0.0017
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.054 0.059
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.054 0.09
Mycobacterium tuberculosis Possible DNA glycosylase 0.0526 0.7396 1
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.025 0.3393 0.4588
Mycobacterium ulcerans monoamine oxidase 0.003 0.0197 0.0267
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0078 0.0887 0.1479
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.043 0.5997 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.003 0.0197 0.0329
Schistosoma mansoni glutamate receptor NMDA 0.0074 0.0833 0.139
Loa Loa (eye worm) hypothetical protein 0.0072 0.0801 0.1336
Echinococcus multilocularis dual specificity mitogen activated protein 0.0078 0.0887 0.1479
Echinococcus multilocularis leucyl tRNA synthetase 0.0179 0.2365 0.3944
Mycobacterium leprae Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE) 0.0526 0.7396 1
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0265 0.361 0.5883
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0526 0.7396 1
Schistosoma mansoni serine/threonine protein kinase 0.0173 0.2277 0.3796
Brugia malayi isoleucyl-tRNA synthetase 0.043 0.5997 1
Brugia malayi MAP kinase sur-1 0.0054 0.054 0.09
Plasmodium vivax hypothetical protein, conserved 0.0265 0.361 0.5883
Mycobacterium tuberculosis Conserved hypothetical protein 0.003 0.0197 0.0267
Brugia malayi protein ZK524.3 0.0072 0.0801 0.1336
Brugia malayi leucyl-tRNA synthetase 0.0265 0.361 0.6019
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.043 0.5997 0.5917
Loa Loa (eye worm) hypothetical protein 0.0179 0.2365 0.3944
Trichomonas vaginalis STE family protein kinase 0.0078 0.0887 0.1479
Brugia malayi isoleucyl-tRNA synthetase family protein 0.043 0.5997 1
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0108 0.1325 0.2209
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.043 0.5997 1
Echinococcus multilocularis carboxylesterase 5A 0.0098 0.1176 0.1961
Loa Loa (eye worm) acetylcholinesterase 1 0.0098 0.1176 0.1961
Echinococcus granulosus lysine specific histone demethylase 1A 0.003 0.0197 0.0329
Echinococcus granulosus glutamate receptor 2 0.0017 0.001 0.0017
Chlamydia trachomatis valine--tRNA ligase 0.0179 0.2365 0.3738
Echinococcus granulosus serine:threonine protein kinase Chk2 0.004 0.0348 0.0581
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0072 0.0801 0.1041
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.003 0.0197 0.0329
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.043 0.5997 1
Loa Loa (eye worm) carboxylesterase 0.0098 0.1176 0.1961
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0017 0.001 0.0017
Toxoplasma gondii Isoleucine-tRNA ligase 0.0072 0.0801 0.1041
Plasmodium falciparum valine--tRNA ligase, putative 0.0179 0.2365 0.2211
Leishmania major leucyl-tRNA synthetase, putative 0.0265 0.361 0.5883
Leishmania major isoleucyl-tRNA synthetase, putative 0.043 0.5997 1
Mycobacterium tuberculosis Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase) 0.0179 0.2365 0.3198
Trypanosoma brucei valyl-tRNA synthetase, putative 0.0179 0.2365 0.3345
Chlamydia trachomatis isoleucine--tRNA ligase 0.043 0.5997 1
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0108 0.1325 0.2209
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.054 0.09
Entamoeba histolytica valyl tRNA synthetase, putative 0.0179 0.2365 0.357
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.0329
Echinococcus multilocularis glutamate receptor NMDA 0.0057 0.0584 0.0974
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.043 0.5997 0.8057
Echinococcus granulosus valyl tRNA synthetase 0.0179 0.2365 0.3944
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.004 0.0348 0.0581
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0072 0.0801 0.1336
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.054 0.059
Echinococcus multilocularis protoporphyrinogen oxidase 0.003 0.0197 0.0329
Mycobacterium leprae PROBABLE VALYL-tRNA SYNTHASE PROTEIN VALS (VALYL-tRNA SYNTHETASE) (VALINE--tRNA LIGASE) (VALINE TRANSLASE) ELONGS TO CLASS-I AMI 0.0179 0.2365 0.3012
Mycobacterium tuberculosis Possible oxidoreductase 0.003 0.0197 0.0267
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0017 0.001 0.0017
Echinococcus granulosus acetylcholinesterase 0.0098 0.1176 0.1961
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.054 0.09
Loa Loa (eye worm) hypothetical protein 0.043 0.5997 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.0329
Echinococcus multilocularis lysine specific histone demethylase 1A 0.003 0.0197 0.0329
Echinococcus multilocularis 0.003 0.0197 0.0329
Toxoplasma gondii tRNA synthetase, putative 0.0179 0.2365 0.3738
Trichomonas vaginalis STE family protein kinase 0.0078 0.0887 0.1479
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.0329
Entamoeba histolytica leucyl-tRNA synthetase, putative 0.0265 0.361 0.5773
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0072 0.0801 0.1336
Schistosoma mansoni leucyl-tRNA synthetase 0.0072 0.0801 0.1336
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0173 0.2277 0.3796
Echinococcus granulosus nmda type glutamate receptor 0.0062 0.0662 0.1103
Echinococcus multilocularis acetylcholinesterase 0.0098 0.1176 0.1961
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.043 0.5997 1
Toxoplasma gondii leucyl-tRNA synthetase 0.0265 0.361 0.5883
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0017 0.001 0.0017
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.054 0.059
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0427 0.5961 0.806
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0072 0.0801 0.1336
Trypanosoma brucei leucyl-tRNA synthetase, putative 0.0265 0.361 0.5625
Schistosoma mansoni amine oxidase 0.003 0.0197 0.0329
Brugia malayi hypothetical protein 0.003 0.0197 0.0329
Onchocerca volvulus 0.0108 0.1325 0.2988
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.043 0.5997 1
Schistosoma mansoni isoleucine--tRNA ligase 0.043 0.5997 1
Brugia malayi Protein kinase domain containing protein 0.0173 0.2277 0.3796
Schistosoma mansoni valine-tRNA ligase 0.0179 0.2365 0.3944
Echinococcus granulosus glutamate receptor NMDA 0.0057 0.0584 0.0974
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0126 0.1594 0.2658
Echinococcus multilocularis raf serine:threonine protein kinase 0.0223 0.2994 0.4993
Brugia malayi valyl-tRNA synthetase family protein 0.0179 0.2365 0.3944
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.054 0.09
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.0329
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.0078 0.0887 0.0637
Loa Loa (eye worm) hypothetical protein 0.0157 0.2046 0.3411
Treponema pallidum isoleucyl-tRNA synthetase 0.043 0.5997 1
Onchocerca volvulus 0.0179 0.2365 0.5335
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0265 0.361 0.6019
Plasmodium falciparum valine--tRNA ligase, putative 0.0179 0.2365 0.2211
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.004 0.0348 0.0581
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.043 0.5997 1
Schistosoma mansoni serine/threonine protein kinase 0.004 0.0348 0.0581
Echinococcus granulosus nmda type glutamate receptor 0.0059 0.0624 0.104
Toxoplasma gondii valyl-tRNA synthetase 0.0179 0.2365 0.3738
Brugia malayi SWIRM domain containing protein 0.003 0.0197 0.0329
Loa Loa (eye worm) raf kinase 0.0222 0.2979 0.4967
Trichomonas vaginalis STE family protein kinase 0.0078 0.0887 0.1479
Echinococcus multilocularis valyl tRNA synthetase 0.0179 0.2365 0.3944
Echinococcus multilocularis valyl tRNA synthetase 0.0179 0.2365 0.3944
Brugia malayi Valyl-tRNA synthetase 0.0179 0.2365 0.3944
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.043 0.5997 0.722
Brugia malayi Raf kinase 0.0215 0.2882 0.4805
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.0322 0.4433 0.7393
Echinococcus granulosus dual specificity mitogen activated protein 0.0078 0.0887 0.1479
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0526 0.7396 1
Toxoplasma gondii leucyl-tRNA synthetase (LeuRS2) 0.0179 0.2365 0.3738
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.043 0.5997 1
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0078 0.0887 0.1479
Echinococcus granulosus raf serine:threonine protein kinase 0.0223 0.2994 0.4993
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0017 0.001 0.0017
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0098 0.1176 0.1961
Schistosoma mansoni Lysine-specific histone demethylase 1 0.003 0.0197 0.0329
Leishmania major valyl-tRNA synthetase, putative 0.0179 0.2365 0.3738
Schistosoma mansoni leucyl-tRNA synthetase 0.0265 0.361 0.6019
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0179 0.2365 0.3738
Chlamydia trachomatis leucine--tRNA ligase 0.0108 0.1325 0.1943
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.0078 0.0887 0.1189
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0108 0.1325 0.1791
Loa Loa (eye worm) hypothetical protein 0.0098 0.1176 0.1961
Schistosoma mansoni protein kinase 0.0078 0.0887 0.1479
Loa Loa (eye worm) hypothetical protein 0.0072 0.0801 0.1336
Mycobacterium ulcerans oxidoreductase 0.003 0.0197 0.0267
Schistosoma mansoni methionine-tRNA synthetase 0.0108 0.1325 0.2209
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.054 0.09
Mycobacterium ulcerans protoporphyrinogen oxidase 0.003 0.0197 0.0267
Treponema pallidum valyl-tRNA synthetase 0.0179 0.2365 0.2227
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.054 0.059
Plasmodium vivax valine--tRNA ligase, putative 0.0179 0.2365 0.3738
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.004 0.0348 0.0581
Schistosoma mansoni amine oxidase 0.003 0.0197 0.0329
Giardia lamblia Valine-tRNA ligase 0.0179 0.2365 0.3345
Loa Loa (eye worm) hypothetical protein 0.0194 0.2569 0.4283
Echinococcus multilocularis acetylcholinesterase 0.0098 0.1176 0.1961
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.043 0.5997 1
Brugia malayi amine oxidase, flavin-containing family protein 0.003 0.0197 0.0329
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.0329
Brugia malayi Carboxylesterase family protein 0.0098 0.1176 0.1961
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.054 0.09
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0108 0.1325 0.2209
Echinococcus multilocularis leucyl tRNA synthetase 0.0265 0.361 0.6019
Plasmodium vivax valine--tRNA ligase, putative 0.0072 0.0801 0.1041
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.043 0.5997 0.8109
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0017 0.001 0.0017
Schistosoma mansoni serine/threonine protein kinase 0.0223 0.2994 0.4993
Plasmodium falciparum leucine--tRNA ligase, putative 0.0265 0.361 0.3481
Plasmodium vivax isoleucine--tRNA ligase, putative 0.043 0.5997 1
Entamoeba histolytica valyl-tRNA synthetase, putative 0.0179 0.2365 0.357
Plasmodium falciparum leucine--tRNA ligase, putative 0.0072 0.0801 0.0616
Loa Loa (eye worm) hypothetical protein 0.0322 0.4433 0.7393
Wolbachia endosymbiont of Brugia malayi formamidopyrimidine-DNA glycosylase 0.0526 0.7396 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0017 0.001 0.0017
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0397 0.5524 0.747
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.054 0.09
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.054 0.059
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0108 0.1325 0.2209
Giardia lamblia Leucyl-tRNA synthetase 0.0157 0.2046 0.276
Mycobacterium ulcerans dehydrogenase 0.003 0.0197 0.0267
Echinococcus multilocularis glutamate receptor 2 0.0017 0.001 0.0017
Brugia malayi Carboxylesterase family protein 0.0098 0.1176 0.1961
Onchocerca volvulus 0.003 0.0197 0.0445
Toxoplasma gondii isoleucyl-tRNA synthetase, putative 0.0179 0.2365 0.3738
Mycobacterium tuberculosis Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase) 0.0526 0.7396 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0017 0.001 0.0017
Chlamydia trachomatis methionine--tRNA ligase 0.0108 0.1325 0.1943
Loa Loa (eye worm) hypothetical protein 0.003 0.0197 0.0329
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0108 0.1325 0.1943
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.054 0.059
Giardia lamblia Kinase, STE STE20 0.0078 0.0887 0.0637
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.054 0.09
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.054 0.09
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.054 0.09
Mycobacterium ulcerans valyl-tRNA synthetase 0.0179 0.2365 0.3198
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0427 0.5961 0.806
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.0078 0.0887 0.1189
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.054 0.059
Echinococcus granulosus acetylcholinesterase 0.0098 0.1176 0.1961
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0157 0.2046 0.3411
Echinococcus multilocularis nmda type glutamate receptor 0.0059 0.0624 0.104
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0157 0.2046 0.3187
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0072 0.0801 0.1336
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0179 0.2365 0.3944
Echinococcus granulosus leucyl tRNA synthetase 0.0265 0.361 0.6019
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.0322 0.4433 0.7393
Giardia lamblia Isoleucyl-tRNA synthetase 0.043 0.5997 1
Echinococcus granulosus leucyl tRNA synthetase 0.0179 0.2365 0.3944
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0108 0.1325 0.2209
Schistosoma mansoni valine-tRNA ligase 0.0179 0.2365 0.3944

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 1.6 umol/kg Analgesic activity of compound in phase I mouse formalin activities at a dose range of 0.4-6.3 mg, s.c. ChEMBL. 15745813
ED50 (functional) = 1.6 umol/kg Analgesic activity of compound in phase II mouse formalin activities at a dose range of 0.4-6.3 mg, s.c. ChEMBL. 15745813
ED50 (functional) = 1.6 umol/kg Analgesic activity of compound in phase I mouse formalin activities at a dose range of 0.4-6.3 mg, s.c. ChEMBL. 15745813
ED50 (functional) = 1.6 umol/kg Analgesic activity of compound in phase II mouse formalin activities at a dose range of 0.4-6.3 mg, s.c. ChEMBL. 15745813

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

Bibliographic References

1 literature reference was collected for this gene.

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