Detailed information for compound 1809291

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 466.01 | Formula: C25H36ClNO5
  • H donors: 0 H acceptors: 2 LogP: 7.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc(cc1C)Cl)ON=C1CCCCCCCCCCC(=O)OC(CC1)C
  • InChi: 1S/C25H36ClNO5/c1-19-17-21(26)14-16-23(19)30-18-25(29)32-27-22-11-9-7-5-3-4-6-8-10-12-24(28)31-20(2)13-15-22/h14,16-17,20H,3-13,15,18H2,1-2H3
  • InChiKey: QZYPMGXSGXITLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 multilocularis mitogen activated protein kinase 3 0.1411 0.4138 0.4122
Echinococcus multilocularis GPCR, family 3, C terminal 0.0206 0.0458 0.0432
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0039 0.0155
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0206 0.0458 0.0457
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.0032 0.0032
Echinococcus multilocularis epidermal growth factor receptor 0.1848 0.5471 0.5459
Echinococcus multilocularis insulin receptor 0.1062 0.3071 0.3052
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.0125 0.0098
Echinococcus multilocularis nmda type glutamate receptor 0.0119 0.0194 0.0167
Loa Loa (eye worm) hypothetical protein 0.0056 0.0001 0.0001
Brugia malayi MAP kinase sur-1 0.1411 0.4138 0.4138
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0119 0.0194 0.0167
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.0014 0.0014
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.0032 0.0032
Schistosoma mansoni glutaminase 0.0309 0.0772 0.0772
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0119 0.0194 0.0406
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0184 0.0391 0.0391
Schistosoma mansoni microtubule-associated protein tau 0.078 0.221 0.221
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.0838 0.1966
Loa Loa (eye worm) hypothetical protein 0.0094 0.0116 0.0116
Schistosoma mansoni tyrosine kinase 0.1062 0.3071 0.3071
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0325 0.0823 0.0823
Brugia malayi glutathione reductase 0.0096 0.0123 0.0122
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.115 0.334 0.3339
Brugia malayi hypothetical protein 0.0119 0.0194 0.0192
Echinococcus granulosus lysosomal alpha glucosidase 0.0184 0.0391 0.0365
Mycobacterium ulcerans glutaminase 0.0309 0.0772 1
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.0194 0.04
Mycobacterium tuberculosis Probable reductase 0.0219 0.0499 0.8633
Echinococcus multilocularis glutamate receptor 2 0.0119 0.0194 0.0167
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0219 0.0499 0.8633
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0119 0.0194 0.0194
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0119 0.0194 0.0167
Trypanosoma brucei protein kinase, putative 0.1411 0.4138 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.0838 0.1966
Onchocerca volvulus 0.0119 0.0194 0.4227
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.0241 0.0241
Echinococcus granulosus lysine specific demethylase 5A 0.0066 0.0032 0.0005
Brugia malayi Receptor family ligand binding region containing protein 0.0325 0.0823 0.0821
Echinococcus multilocularis lysosomal alpha glucosidase 0.0184 0.0391 0.0365
Plasmodium falciparum glutathione reductase 0.0096 0.0123 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.0194 0.0194
Echinococcus multilocularis microtubule associated protein 2 0.078 0.221 0.2188
Trypanosoma cruzi polo-like protein kinase, putative 0.0119 0.0194 0.0177
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0119 0.0194 0.0167
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.0838 0.1966
Brugia malayi Protein kinase domain containing protein 0.1062 0.3071 0.307
Loa Loa (eye worm) RGC/RGC protein kinase 0.0138 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.1562 0.46 0.46
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0119 0.0194 0.0194
Plasmodium vivax glutathione reductase, putative 0.0096 0.0123 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0184 0.0391 0.0365
Trichomonas vaginalis CMGC family protein kinase 0.1411 0.4138 1
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.0194 0.04
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0039 0.0155
Trichomonas vaginalis CMGC family protein kinase 0.1411 0.4138 1
Schistosoma mansoni alpha-glucosidase 0.0158 0.0313 0.0313
Schistosoma mansoni kinase 0.0067 0.0034 0.0034
Echinococcus multilocularis metabotropic glutamate receptor 5 0.1562 0.46 0.4585
Loa Loa (eye worm) hypothetical protein 0.0206 0.0458 0.0458
Trichomonas vaginalis CMGC family protein kinase 0.1411 0.4138 1
Echinococcus granulosus GPCR family 3 C terminal 0.0206 0.0458 0.0432
Echinococcus multilocularis tyrosine kinase 0.0138 0.0249 0.0223
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.0194 0.04
Echinococcus granulosus L aminoadipate semialdehyde 0.0094 0.0116 0.0089
Brugia malayi glutaminase DH11.1 0.0309 0.0772 0.0771
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0219 0.0499 0.8633
Schistosoma mansoni tyrosine kinase 0.183 0.5415 0.5415
Mycobacterium tuberculosis Probable dehydrogenase 0.0219 0.0499 0.8633
Echinococcus granulosus tumor protein p63 0.0382 0.0995 0.097
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0161 0.0322 0.539
Brugia malayi serine/threonine-protein kinase plk-2 0.0119 0.0194 0.0193
Toxoplasma gondii thioredoxin reductase 0.0096 0.0123 0.0205
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0039 0.0039
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.0125 0.0098
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0325 0.0823 0.0823
Schistosoma mansoni lipoxygenase 0.0115 0.0182 0.0182
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.0039 0.0012
Brugia malayi Thioredoxin reductase 0.0096 0.0123 0.0122
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0119 0.0194 0.0167
Brugia malayi metabotropic glutamate receptor type 2 0.0619 0.1718 0.1717
Echinococcus multilocularis receptor type guanylyl cyclase 0.0138 0.0249 0.0223
Loa Loa (eye worm) glutathione reductase 0.0096 0.0123 0.0123
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0094 0.0116 0.0115
Schistosoma mansoni tyrosine kinase 0.183 0.5415 0.5415
Loa Loa (eye worm) hypothetical protein 0.0119 0.0194 0.0194
Brugia malayi Glycosyl hydrolases family 31 protein 0.0184 0.0391 0.039
Loa Loa (eye worm) hypothetical protein 0.0138 0.0249 0.0249
Trypanosoma cruzi extracellular receptor, putative 0.0119 0.0194 0.0176
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0119 0.0194 0.0167
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0138 0.0249 0.5438
Trypanosoma cruzi polo-like protein kinase, putative 0.0119 0.0194 0.0177
Loa Loa (eye worm) glutamate receptor 0.1269 0.3704 0.3704
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0161 0.0322 0.3954
Echinococcus granulosus microtubule associated protein 2 0.078 0.221 0.2188
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0244 0.0574 1
Schistosoma mansoni jumonji domain containing protein 0.0066 0.0032 0.0032
Echinococcus granulosus mitogen activated protein kinase 3 0.1411 0.4138 0.4122
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.0194 0.04
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0119 0.0194 0.0167
Loa Loa (eye worm) glutaminase 0.0309 0.0772 0.0772
Schistosoma mansoni alpha-glucosidase 0.0158 0.0313 0.0313
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0244 0.0574 1
Plasmodium vivax thioredoxin reductase, putative 0.0096 0.0123 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.1562 0.46 0.4585
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.0241 0.0241
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.0194 0.04
Loa Loa (eye worm) hypothetical protein 0.0119 0.0194 0.0194
Echinococcus multilocularis 0.1118 0.3241 0.3223
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0206 0.0458 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1062 0.3071 0.3052
Echinococcus multilocularis lysine specific demethylase 5A 0.0066 0.0032 0.0005
Echinococcus granulosus glutamate receptor 2 0.0119 0.0194 0.0167
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0119 0.0194 0.0167
Giardia lamblia Kinase, CMGC MAPK 0.1411 0.4138 1
Leishmania major trypanothione reductase 0.0096 0.0123 0.0233
Onchocerca volvulus Poor gastrulation protein homolog 0.0206 0.0458 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0094 0.0116 0.0089
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.0039 0.0212
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0066 0.0032 0.0005
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0094 0.0116 0.0116
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.0194 0.04
Loa Loa (eye worm) RGC/RGC protein kinase 0.0138 0.0249 0.0249
Echinococcus granulosus receptor type guanylyl cyclase 0.0138 0.0249 0.0223
Brugia malayi jmjC domain containing protein 0.0066 0.0032 0.0031
Plasmodium falciparum thioredoxin reductase 0.0096 0.0123 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0119 0.0194 0.0167
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0219 0.0499 0.8633
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.1411 0.4138 1
Schistosoma mansoni tyrosine kinase 0.1062 0.3071 0.3071
Loa Loa (eye worm) glutaminase 2 0.0309 0.0772 0.0772
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0119 0.0194 0.0192
Loa Loa (eye worm) hypothetical protein 0.0119 0.0194 0.0194
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.0039 0.0012
Trichomonas vaginalis CMGC family protein kinase 0.1411 0.4138 1
Schistosoma mansoni tyrosine kinase 0.183 0.5415 0.5415
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.1411 0.4138 1
Echinococcus granulosus atrial natriuretic peptide receptor 0.0119 0.0194 0.0167
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.1411 0.4138 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.1062 0.3071 0.3052
Schistosoma mansoni tyrosine kinase 0.1848 0.5471 0.5471
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0219 0.0499 0.7034
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0096 0.0123 0.1751
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0196 0.0427 0.04
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.033 0.0838 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0119 0.0194 0.0007
Echinococcus multilocularis tumor protein p63 0.0382 0.0995 0.097
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.1411 0.4138 1
Schistosoma mansoni serine/threonine protein kinase 0.0119 0.0194 0.0194
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0244 0.0574 1
Schistosoma mansoni tyrosine kinase 0.3331 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.1411 0.4138 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0219 0.0499 0.8633
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1411 0.4138 1
Schistosoma mansoni metabotropic glutamate receptor 0.1063 0.3075 0.3075
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.1848 0.5471 0.5459
Echinococcus granulosus epidermal growth factor receptor 0.3331 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.0032 0.0032
Treponema pallidum fructose-bisphosphate aldolase 0.033 0.0838 0.5
Loa Loa (eye worm) TK/EGFR protein kinase 0.3331 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0119 0.0194 0.0167
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.0039 0.0028
Echinococcus multilocularis glutamate receptor 2 0.0119 0.0194 0.0167
Brugia malayi Guanylyl cyclase protein 23 0.0138 0.0249 0.0248
Loa Loa (eye worm) RGC/RGC protein kinase 0.0138 0.0249 0.0249
Trypanosoma brucei polo-like protein kinase 0.0119 0.0194 0.0177
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0196 0.0427 0.04
Echinococcus granulosus epidermal growth factor receptor 0.1848 0.5471 0.5459
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.1443 0.4235 0.4235
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0065 0.0027 0.0027
Trichomonas vaginalis CAMK family protein kinase 0.0119 0.0194 0.04
Trichomonas vaginalis glutaminase, putative 0.0309 0.0772 0.1807
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.0838 0.1966
Brugia malayi Receptor family ligand binding region containing protein 0.0138 0.0249 0.0248
Loa Loa (eye worm) hypothetical protein 0.0119 0.0194 0.0194
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0039 0.0155
Brugia malayi MH2 domain containing protein 0.0135 0.0241 0.024
Schistosoma mansoni lipoxygenase 0.0196 0.0427 0.0427
Schistosoma mansoni tyrosine kinase 0.0138 0.0249 0.0249
Echinococcus multilocularis mitogen activated protein kinase 0.1411 0.4138 0.4122
Schistosoma mansoni protein kinase 0.0138 0.0249 0.0249
Echinococcus granulosus mitogen activated protein kinase 0.1411 0.4138 0.4122
Onchocerca volvulus 0.0138 0.0249 0.5438
Echinococcus granulosus nmda type glutamate receptor 0.0119 0.0194 0.0167
Mycobacterium tuberculosis Probable oxidoreductase 0.0244 0.0574 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.1063 0.3075 0.3056
Schistosoma mansoni hypothetical protein 0.0206 0.0458 0.0458
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0325 0.0823 0.0823
Onchocerca volvulus 0.0094 0.0116 0.2535
Loa Loa (eye worm) thioredoxin reductase 0.0096 0.0123 0.0123
Giardia lamblia Fructose-bisphosphate aldolase 0.033 0.0838 0.1631
Loa Loa (eye worm) TK/INSR protein kinase 0.1062 0.3071 0.3071
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.0838 0.1966
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.1411 0.4138 1
Echinococcus granulosus insulin receptor 0.1062 0.3071 0.3052
Schistosoma mansoni glutamate receptor NMDA 0.0119 0.0194 0.0194
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0119 0.0194 0.0167
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0027 0.0026
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1411 0.4138 1
Loa Loa (eye worm) glutamate receptor 0.0499 0.1354 0.1354
Echinococcus granulosus glutamate receptor 2 0.0119 0.0194 0.0167
Echinococcus multilocularis epidermal growth factor receptor 0.3331 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0001 0.0001
Brugia malayi Metabotropic glutamate receptor precursor. 0.1269 0.3704 0.3703
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.0838 0.1966
Brugia malayi jmjC domain containing protein 0.0066 0.0032 0.0031
Echinococcus multilocularis metabotropic glutamate receptor 2 0.1063 0.3075 0.3056
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0119 0.0194 0.0167
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.1411 0.4138 0.4138
Schistosoma mansoni serine/threonine protein kinase 0.1411 0.4138 0.4138
Onchocerca volvulus Serine\/threonine kinase homolog 0.0119 0.0194 0.4237
Echinococcus granulosus tyrosine kinase 0.0138 0.0249 0.0223
Schistosoma mansoni tyrosine kinase 0.1848 0.5471 0.5471
Loa Loa (eye worm) hypothetical protein 0.0119 0.0194 0.0194
Leishmania major extracellular receptor, putative 0.0119 0.0194 0.0405
Onchocerca volvulus 0.0106 0.0154 0.337
Schistosoma mansoni tyrosine kinase 0.0138 0.0249 0.0249
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.0838 0.1966
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.033 0.0838 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.0838 0.1966
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0066 0.0032 0.0005
Schistosoma mansoni metabotropic glutamate receptor 0.0619 0.1718 0.1718

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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