Detailed information for compound 1575824

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.363 | Formula: C18H20N2O3
  • H donors: 0 H acceptors: 1 LogP: 2.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc(c1)c1occ(n1)CN(Cc1ccco1)C
  • InChi: 1S/C18H20N2O3/c1-3-21-16-7-4-6-14(10-16)18-19-15(13-23-18)11-20(2)12-17-8-5-9-22-17/h4-10,13H,3,11-12H2,1-2H3
  • InChiKey: YQOAYGFDVYXHJH-UHFFFAOYSA-N  

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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0486 0.6853 1
Schistosoma mansoni threonyl-tRNA synthetase 0.0044 0.0463 0.0463
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0154 0.2053 0.2053
Trypanosoma brucei leucyl-tRNA synthetase, putative 0.0022 0.0151 0.206
Mycobacterium leprae Probable lipase LipE 0.0037 0.0362 0.0422
Brugia malayi valyl-tRNA synthetase family protein 0.0022 0.0151 0.022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0034
Chlamydia trachomatis isoleucine--tRNA ligase 0.0062 0.0733 1
Echinococcus granulosus leucyl tRNA synthetase 0.0022 0.0151 0.0151
Onchocerca volvulus 0.0017 0.0073 0.0935
Echinococcus multilocularis valyl tRNA synthetase 0.0022 0.0151 0.0151
Onchocerca volvulus 0.005 0.056 1
Mycobacterium leprae Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase) 0.0048 0.0531 0.0619
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0362 0.4936
Trypanosoma brucei threonyl-tRNA synthetase, putative 0.0055 0.0625 0.8525
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.0062 0.0733 1
Onchocerca volvulus 0.0037 0.0362 0.6307
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.0062 0.0733 1
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0094 0.1193 0.139
Toxoplasma gondii pantoate-beta-alanine ligase 0.0605 0.8582 1
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.0062 0.0733 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0486 0.6853 1
Wolbachia endosymbiont of Brugia malayi threonyl-tRNA synthetase 0.0048 0.0531 0.445
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0362 0.0422
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0094 0.1193 0.139
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0362 0.4936
Onchocerca volvulus 0.0049 0.0541 0.9647
Onchocerca volvulus 0.0037 0.0362 0.6307
Brugia malayi MH2 domain containing protein 0.0122 0.1591 0.2321
Trypanosoma brucei valyl-tRNA synthetase, putative 0.0022 0.0151 0.206
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0362 0.4936
Treponema pallidum threonyl-tRNA synthetase 0.0048 0.0531 0.7241
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.0062 0.0733 0.0854
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0037 0.0054
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0022 0.0151 0.206
Giardia lamblia Isoleucyl-tRNA synthetase 0.0062 0.0733 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0362 0.0339
Treponema pallidum valyl-tRNA synthetase 0.0022 0.0151 0.206
Onchocerca volvulus 0.0037 0.0362 0.6307
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0362 0.0339
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0022 0.0151 0.206
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0362 0.0422
Schistosoma mansoni cellular tumor antigen P53 0.005 0.056 0.056
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0022 0.0151 0.206
Loa Loa (eye worm) hypothetical protein 0.0037 0.0362 0.0528
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.0062 0.0733 0.0854
Loa Loa (eye worm) hypothetical protein 0.0022 0.0151 0.022
Mycobacterium ulcerans threonyl-tRNA synthetase 0.0048 0.0531 0.0619
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0055 0.0625 0.8525
Onchocerca volvulus 0.0022 0.0151 0.2379
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.0062 0.0733 0.0854
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0362 0.4936
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0034
Toxoplasma gondii leucyl-tRNA synthetase (LeuRS2) 0.0022 0.0151 0.0176
Toxoplasma gondii valyl-tRNA synthetase 0.0022 0.0151 0.0176
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0362 0.4936
Brugia malayi latrophilin 2 splice variant baaae 0.0332 0.4631 0.6758
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0362 0.0339
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.3221 0.3699
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0151 0.206
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0013 0.0023 0.0317
Plasmodium falciparum threonine--tRNA ligase 0.0048 0.0531 0.3509
Loa Loa (eye worm) hypothetical protein 0.0049 0.0541 0.079
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0062 0.0733 0.107
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0525 0.7422 0.8637
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0154 0.2053 0.2996
Schistosoma mansoni microtubule-associated protein tau 0.0703 1 1
Brugia malayi isoleucyl-tRNA synthetase 0.0062 0.0733 0.107
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0013 0.0023 0.0023
Brugia malayi Valyl-tRNA synthetase 0.0022 0.0151 0.022
Trypanosoma cruzi valyl-tRNA synthetase, putative 0.0013 0.0023 0.0317
Plasmodium vivax threonine--tRNA ligase, putative 0.0048 0.0531 0.7241
Schistosoma mansoni isoleucine--tRNA ligase 0.0062 0.0733 0.0733
Wolbachia endosymbiont of Brugia malayi valyl-tRNA synthetase 0.0022 0.0151 0.1266
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0362 0.0528
Trichomonas vaginalis threonyl-tRNA synthetase, putative 0.0048 0.0531 0.7241
Loa Loa (eye worm) hypothetical protein 0.0154 0.2053 0.2996
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0362 0.0422
Leishmania major hypothetical protein, conserved 0.0037 0.0362 0.4936
Echinococcus multilocularis tumor protein p63 0.0344 0.481 0.481
Chlamydia trachomatis methionine--tRNA ligase 0.0013 0.0023 0.0317
Leishmania major leucyl-tRNA synthetase, putative 0.0022 0.0151 0.206
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0062 0.0733 0.4847
Mycobacterium tuberculosis Possible DNA glycosylase 0.0094 0.1193 0.1316
Chlamydia trachomatis leucine--tRNA ligase 0.0013 0.0023 0.0317
Echinococcus multilocularis Threonyl tRNA synthetase, C 0.0055 0.0625 0.0625
Toxoplasma gondii tRNA synthetase, putative 0.0022 0.0151 0.0176
Loa Loa (eye worm) hypothetical protein 0.0486 0.6853 1
Brugia malayi threonyl-tRNA synthetase, cytoplasmic 0.0055 0.0625 0.0912
Echinococcus granulosus leucyl tRNA synthetase 0.0022 0.0151 0.0151
Brugia malayi Latrophilin receptor protein 2 0.0154 0.2053 0.2996
Echinococcus granulosus GPCR family 2 0.0154 0.2053 0.2053
Schistosoma mansoni isoleucine--tRNA ligase 0.0062 0.0733 0.0733
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0022 0.0151 0.1266
Treponema pallidum isoleucyl-tRNA synthetase 0.0062 0.0733 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.0362 0.0528
Treponema pallidum leucyl-tRNA synthetase 0.0013 0.0023 0.0317
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0013 0.0023 0.0317
Loa Loa (eye worm) hypothetical protein 0.0037 0.0362 0.0528
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0014 0.0031 0.0036
Plasmodium falciparum valine--tRNA ligase, putative 0.0022 0.0151 0.0998
Schistosoma mansoni valine-tRNA ligase 0.0022 0.0151 0.0151
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0362 0.0362
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0362 0.0528
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0362 0.0339
Trichomonas vaginalis esterase, putative 0.0037 0.0362 0.4936
Brugia malayi isoleucyl-tRNA synthetase family protein 0.0062 0.0733 0.107
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0013 0.0023 0.0023
Loa Loa (eye worm) threonyl-tRNA synthetase 0.0055 0.0625 0.0912
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0062 0.0733 0.6145
Entamoeba histolytica threonyl-tRNA synthetase, putative 0.0048 0.0531 0.7241
Echinococcus granulosus Threonyl tRNA synthetase C 0.0055 0.0625 0.0625
Plasmodium vivax valine--tRNA ligase, putative 0.0022 0.0151 0.206
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0362 0.4936
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0154 0.2053 0.2053
Toxoplasma gondii isoleucyl-tRNA synthetase, putative 0.0022 0.0151 0.0176
Loa Loa (eye worm) hypothetical protein 0.0037 0.0362 0.0528
Echinococcus granulosus valyl tRNA synthetase 0.0022 0.0151 0.0151
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1591 0.2321
Giardia lamblia Valine-tRNA ligase 0.0022 0.0151 0.206
Mycobacterium ulcerans beta-lactamase 0.0037 0.0362 0.0422
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.0062 0.0733 1
Brugia malayi beta-lactamase family protein 0.0037 0.0362 0.0528
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0362 0.0339
Mycobacterium tuberculosis Conserved protein 0.0037 0.0362 0.0339
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0362 0.0339
Loa Loa (eye worm) hypothetical protein 0.0037 0.0362 0.0528
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0362 0.0362
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0013 0.0023 0.0027
Echinococcus multilocularis microtubule associated protein 2 0.0703 1 1
Mycobacterium ulcerans thioesterase 0.0163 0.2187 0.2549
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0116 0.1513 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.0362 0.0422
Mycobacterium tuberculosis Conserved protein 0.0037 0.0362 0.0339
Mycobacterium tuberculosis Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase) 0.0094 0.1193 0.1316
Toxoplasma gondii leucyl-tRNA synthetase 0.0022 0.0151 0.0176
Toxoplasma gondii ABC1 family protein 0.0037 0.0362 0.0422
Schistosoma mansoni hypothetical protein 0.0154 0.2053 0.2053
Echinococcus multilocularis leucyl tRNA synthetase 0.0022 0.0151 0.0151
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0017 0.0073 0.0086
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0154 0.2053 0.2053
Loa Loa (eye worm) hypothetical protein 0.0037 0.0362 0.0528
Toxoplasma gondii threonyl-tRNA synthetase family protein 0.0048 0.0531 0.0619
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0362 0.4936
Schistosoma mansoni leucyl-tRNA synthetase 0.0022 0.0151 0.0151
Onchocerca volvulus 0.0017 0.0073 0.0935
Mycobacterium ulcerans valyl-tRNA synthetase 0.0022 0.0151 0.0176
Echinococcus multilocularis leucyl tRNA synthetase 0.0022 0.0151 0.0151
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0073 0.0107
Schistosoma mansoni hypothetical protein 0.0154 0.2053 0.2053
Plasmodium falciparum valine--tRNA ligase, putative 0.0022 0.0151 0.0998
Schistosoma mansoni hypothetical protein 0.0154 0.2053 0.2053
Loa Loa (eye worm) latrophilin receptor protein 2 0.0154 0.2053 0.2996
Loa Loa (eye worm) hypothetical protein 0.0014 0.0037 0.0054
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0017 0.0073 0.0107
Loa Loa (eye worm) hypothetical protein 0.005 0.056 0.0817
Mycobacterium ulcerans lipase LipD 0.0037 0.0362 0.0422
Echinococcus multilocularis valyl tRNA synthetase 0.0022 0.0151 0.0151
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0486 0.6853 1
Echinococcus multilocularis GPCR, family 2 0.0154 0.2053 0.2053
Schistosoma mansoni hypothetical protein 0.0332 0.4631 0.4631
Brugia malayi leucyl-tRNA synthetase 0.0022 0.0151 0.022
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0017 0.0073 0.0086
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0362 0.0339
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0017 0.0073 0.0086
Giardia lamblia Threonyl-tRNA synthetase 0.0048 0.0531 0.7241
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0605 0.8582 1
Chlamydia trachomatis threonine--tRNA ligase 0.0055 0.0625 0.8525
Plasmodium vivax isoleucine--tRNA ligase, putative 0.0062 0.0733 1
Trichomonas vaginalis valyl-tRNA synthetase, putative 0.0013 0.0023 0.0317
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0062 0.0733 0.0733
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0022 0.0151 0.206
Mycobacterium leprae Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE) 0.0094 0.1193 0.139
Entamoeba histolytica leucyl-tRNA synthetase, putative 0.0022 0.0151 0.206
Mycobacterium leprae PROBABLE VALYL-tRNA SYNTHASE PROTEIN VALS (VALYL-tRNA SYNTHETASE) (VALINE--tRNA LIGASE) (VALINE TRANSLASE) ELONGS TO CLASS-I AMI 0.0022 0.0151 0.0176
Chlamydia trachomatis valine--tRNA ligase 0.0022 0.0151 0.206
Entamoeba histolytica valyl tRNA synthetase, putative 0.0022 0.0151 0.206
Loa Loa (eye worm) hypothetical protein 0.0332 0.4631 0.6758
Loa Loa (eye worm) hypothetical protein 0.0062 0.0733 0.107
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.004 0.0413 0.04
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0362 0.0339
Entamoeba histolytica valyl-tRNA synthetase, putative 0.0022 0.0151 0.206
Leishmania major threonyl-tRNA synthetase, putative 0.0055 0.0625 0.8525
Leishmania major valyl-tRNA synthetase, putative 0.0022 0.0151 0.206
Echinococcus granulosus valyl tRNA synthetase 0.0022 0.0151 0.0151
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0605 0.8582 1
Brugia malayi beta-lactamase 0.0037 0.0362 0.0528
Schistosoma mansoni valine-tRNA ligase 0.0022 0.0151 0.0151
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0055 0.0625 0.8525
Wolbachia endosymbiont of Brugia malayi formamidopyrimidine-DNA glycosylase 0.0094 0.1193 1
Echinococcus granulosus tumor protein p63 0.0344 0.481 0.481
Mycobacterium tuberculosis Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase) 0.0022 0.0151 0.0091
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0362 0.4936
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0014 0.0031 0.0036
Schistosoma mansoni hypothetical protein 0.0154 0.2053 0.2053
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0605 0.8582 1
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1591 0.2321
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.018 0.243 0.2831
Schistosoma mansoni methionine-tRNA synthetase 0.0013 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0037 0.0362 0.0528
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.0049 0.0541 0.0541
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0362 0.0362
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0062 0.0733 0.0733
Mycobacterium tuberculosis Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase) 0.0048 0.0531 0.0538
Leishmania major isoleucyl-tRNA synthetase, putative 0.0062 0.0733 1
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.0049 0.0541 0.0541
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0154 0.2053 0.2053
Plasmodium falciparum leucine--tRNA ligase, putative 0.0022 0.0151 0.0998
Brugia malayi beta-lactamase family protein 0.0037 0.0362 0.0528
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0362 0.0362
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0362 0.4936

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -2 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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

No literature references available for this target.

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