Detailed information for compound 1569461

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.424 | Formula: C21H23N3O5
  • H donors: 1 H acceptors: 3 LogP: 2.62 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C(=O)Cn1c(=O)oc2c1cccc2)CC(=O)Nc1ccccc1OC
  • InChi: 1S/C21H23N3O5/c1-3-12-23(13-19(25)22-15-8-4-6-10-17(15)28-2)20(26)14-24-16-9-5-7-11-18(16)29-21(24)27/h4-11H,3,12-14H2,1-2H3,(H,22,25)
  • InChiKey: IAMSZXKNMJFUFJ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Plasmodium vivax tubulin alpha chain, putative 0.0057 0.2941 0.2772
Trichomonas vaginalis tubulin, putative 0.0146 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0026 0.0462 0.0067
Trypanosoma brucei beta tubulin 0.0146 1 1
Brugia malayi Tubulin alpha-2 chain 0.0057 0.2941 0.2941
Plasmodium falciparum tubulin gamma chain 0.0057 0.2941 0.2648
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Trichomonas vaginalis tubulin, putative 0.0025 0.0398 0.0169
Trichomonas vaginalis tubulin gamma chain, putative 0.0025 0.0398 0.0169
Leishmania major beta tubulin 0.0146 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0146 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.0146 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0026 0.0462 0.0067
Giardia lamblia Gamma tubulin 0.0057 0.2941 0.2772
Giardia lamblia Beta tubulin 0.0146 1 1
Plasmodium vivax tubulin gamma chain, putative 0.0057 0.2941 0.2772
Trichomonas vaginalis sulfite reductase, putative 0.0026 0.0462 0.0235
Trypanosoma brucei beta tubulin 0.0057 0.2941 0.2648
Onchocerca volvulus 0.0032 0.099 0.5
Echinococcus granulosus tubulin alpha chain 0.0057 0.2941 0.2648
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0025 0.0398 0.0169
Trypanosoma cruzi epsilon tubulin, putative 0.0057 0.2941 0.2648
Leishmania major beta tubulin 0.0146 1 1
Mycobacterium leprae cell division protein FtsZ 0.0025 0.0398 0.5
Schistosoma mansoni tubulin subunit alpha 0.0057 0.2941 0.2648
Trichomonas vaginalis tubulin epsilon chain, putative 0.0146 1 1
Brugia malayi Tubulin gamma chain 0.0057 0.2941 0.2941
Trichomonas vaginalis tubulin gamma chain, putative 0.0146 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0057 0.2941 0.2772
Schistosoma mansoni tubulin subunit alpha 0.0057 0.2941 0.2648
Trichomonas vaginalis tubulin beta chain, putative 0.0032 0.099 0.0774
Trypanosoma brucei beta tubulin 0.0146 1 1
Echinococcus multilocularis tubulin alpha 0.0057 0.2941 0.2648
Trypanosoma brucei beta tubulin 0.0146 1 1
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0025 0.0398 0.0169
Leishmania major beta tubulin 0.0146 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0146 1 1
Brugia malayi hypothetical protein 0.003 0.0853 0.0853
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0026 0.0462 0.0067
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0032 0.099 0.0616
Brugia malayi Tubulin alpha-2 chain 0.0057 0.2941 0.2941
Schistosoma mansoni tubulin subunit beta 0.0146 1 1
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Brugia malayi Cell division protein ftsZ 0.0025 0.0398 0.0398
Echinococcus multilocularis beta tubulin 0.0146 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0057 0.2941 0.2772
Trichomonas vaginalis tubulin, putative 0.0032 0.099 0.0774
Leishmania major beta tubulin 0.0146 1 1
Loa Loa (eye worm) alpha-tubulin 0.0057 0.2941 0.2648
Brugia malayi Tubulin alpha chain 0.0025 0.0398 0.0398
Trichomonas vaginalis tubulin epsilon chain, putative 0.0146 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0057 0.2941 0.2648
Loa Loa (eye worm) alpha-tubulin 0.0057 0.2941 0.2648
Leishmania major beta tubulin 0.0146 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0853 0.0474
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0026 0.0462 0.0067
Echinococcus multilocularis tubulin alpha chain 0.0057 0.2941 0.2648
Trypanosoma cruzi epsilon tubulin, putative 0.0057 0.2941 0.2648
Echinococcus granulosus tubulin beta 1 chain 0.0146 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0032 0.099 0.0774
Loa Loa (eye worm) BEN-1 protein 0.0146 1 1
Echinococcus granulosus tubulin epsilon chain 0.0057 0.2941 0.2648
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0026 0.0462 0.0067
Trypanosoma brucei alpha tubulin, putative 0.0032 0.099 0.0616
Trichomonas vaginalis tubulin, putative 0.0032 0.099 0.0774
Schistosoma mansoni alpha tubulin 0.0057 0.2941 0.2648
Loa Loa (eye worm) tubulin beta chain 0.0146 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0057 0.2941 0.2648
Plasmodium falciparum alpha tubulin 2 0.0057 0.2941 0.2648
Schistosoma mansoni tubulin subunit alpha 0.0057 0.2941 0.2648
Echinococcus multilocularis tubulin alpha chain 0.0057 0.2941 0.2648
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0057 0.2941 0.2648
Echinococcus granulosus alpha tubulin 0.0057 0.2941 0.2648
Echinococcus multilocularis Tubulin beta 2C chain 0.0146 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0057 0.2941 0.2648
Echinococcus multilocularis tubulin alpha 3 chain 0.0057 0.2941 0.2648
Trypanosoma brucei epsilon tubulin 0.0057 0.2941 0.2648
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0026 0.0462 0.0067
Echinococcus granulosus tubulin alpha chain 0.0057 0.2941 0.2648
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0026 0.0462 0.0067
Loa Loa (eye worm) hypothetical protein 0.0057 0.2941 0.2648
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Leishmania major beta tubulin 0.0146 1 1
Trypanosoma brucei alpha tubulin 0.0057 0.2941 0.2648
Toxoplasma gondii alpha tubulin TUBA1 0.0057 0.2941 0.2648
Treponema pallidum cell division protein FtsZ 0.0025 0.0398 0.5
Leishmania major beta tubulin 0.0146 1 1
Giardia lamblia Epsilon tubulin 0.0025 0.0398 0.0169
Loa Loa (eye worm) hypothetical protein 0.0026 0.0462 0.0067
Toxoplasma gondii alpha-tubulin I, putative 0.0057 0.2941 0.2648
Loa Loa (eye worm) tubulin alpha chain 0.0057 0.2941 0.2648
Trypanosoma cruzi tubulin gamma chain 0.0057 0.2941 0.2648
Plasmodium falciparum nitric oxide synthase, putative 0.0026 0.0462 0.0067
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0026 0.0462 0.0235
Loa Loa (eye worm) beta-tubulin 0.0146 1 1
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Giardia lamblia Beta tubulin 0.0146 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0057 0.2941 0.2648
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0146 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0146 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0146 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0057 0.2941 0.2772
Brugia malayi tubulin alpha-2 chain 0.0057 0.2941 0.2941
Leishmania major zeta tubulin, putative 0.0025 0.0398 0.0169
Echinococcus multilocularis Tubulin alpha 1 chain 0.0057 0.2941 0.2648
Loa Loa (eye worm) tubulin beta-2A chain 0.0146 1 1
Schistosoma mansoni tubulin subunit beta 0.0146 1 1
Giardia lamblia Alpha-tubulin 0.0057 0.2941 0.2772
Trichomonas vaginalis tubulin epsilon chain, putative 0.0025 0.0398 0.0169
Echinococcus multilocularis tubulin alpha 3 chain 0.0057 0.2941 0.2648
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0853 0.0474
Loa Loa (eye worm) tubulin gamma chain 0.0057 0.2941 0.2648
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0853 0.0474
Leishmania major beta tubulin 0.0146 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0057 0.2941 0.2648
Echinococcus multilocularis tubulin alpha 1C chain 0.0057 0.2941 0.2648
Trypanosoma brucei beta tubulin 0.0146 1 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0025 0.0398 0.5
Echinococcus granulosus tubulin alpha chain 0.0057 0.2941 0.2648
Echinococcus multilocularis tubulin alpha chain 0.0057 0.2941 0.2648
Leishmania major beta tubulin 0.0146 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0146 1 1
Brugia malayi Tubulin alpha chain 0.0057 0.2941 0.2941
Leishmania major gamma-tubulin 0.0057 0.2941 0.2772
Schistosoma mansoni tubulin subunit beta 0.0146 1 1
Toxoplasma gondii beta tubulin 0.0146 1 1
Giardia lamblia Beta tubulin 0.0146 1 1
Leishmania major hypothetical protein, conserved 0.003 0.0853 0.0634
Brugia malayi beta-tubulin, identical 0.0146 1 1
Brugia malayi FAD binding domain containing protein 0.0026 0.0462 0.0462
Schistosoma mansoni cytochrome P450 reductase 0.0026 0.0462 0.0067
Echinococcus granulosus tubulin alpha 1C chain 0.0057 0.2941 0.2648
Loa Loa (eye worm) BEN-1 protein 0.0146 1 1
Brugia malayi tubulin alpha chain - mouse 0.0057 0.2941 0.2941
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0032 0.099 0.0774
Echinococcus granulosus tubulin alpha 1C chain 0.0057 0.2941 0.2648
Trichomonas vaginalis tubulin epsilon chain, putative 0.0057 0.2941 0.2772
Trypanosoma brucei alpha tubulin 0.0057 0.2941 0.2648
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0026 0.0462 0.0067
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Plasmodium vivax delta tubulin, putative 0.0025 0.0398 0.0169
Leishmania major beta tubulin 0.0146 1 1
Leishmania major delta tubulin, putative 0.0025 0.0398 0.0169
Loa Loa (eye worm) tubulin alpha-2 chain 0.0057 0.2941 0.2648
Leishmania major beta tubulin 0.0146 1 1
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Schistosoma mansoni tubulin subunit gamma 0.0057 0.2941 0.2648
Toxoplasma gondii beta-tubulin, putative 0.0146 1 1
Trypanosoma brucei alpha tubulin 0.0057 0.2941 0.2648
Trypanosoma brucei tubulin gamma chain 0.0057 0.2941 0.2648
Echinococcus granulosus tubulin subunit beta 0.0146 1 1
Echinococcus granulosus tubulin gamma 1 chain 0.0057 0.2941 0.2648
Echinococcus granulosus beta tubulin 0.0146 1 1
Echinococcus multilocularis hypothetical protein 0.0057 0.2941 0.2648
Plasmodium falciparum tubulin epsilon chain, putative 0.0057 0.2941 0.2648
Trypanosoma brucei alpha tubulin 0.0057 0.2941 0.2648
Trichomonas vaginalis tubulin beta chain, putative 0.0146 1 1
Trypanosoma brucei epsilon tubulin 0.0057 0.2941 0.2648
Trypanosoma cruzi beta tubulin, putative 0.0146 1 1
Leishmania major beta tubulin 0.0146 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0057 0.2941 0.2772
Trypanosoma cruzi alpha tubulin, putative 0.0057 0.2941 0.2648
Echinococcus granulosus Tubulin alpha 1 chain 0.0057 0.2941 0.2648
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Trichomonas vaginalis tubulin alpha chain, putative 0.0032 0.099 0.0774
Leishmania major epsilon tubulin, putative 0.0057 0.2941 0.2772
Loa Loa (eye worm) tubulin alpha 2 0.0032 0.099 0.0616
Leishmania major beta tubulin 0.0146 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0057 0.2941 0.2772
Echinococcus multilocularis tubulin alpha chain 0.0057 0.2941 0.2648
Echinococcus multilocularis tubulin subunit beta 0.0146 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0853 0.0634
Entamoeba histolytica tubulin family protein 0.0146 1 1
Schistosoma mansoni alpha tubulin 0.0057 0.2941 0.2648
Schistosoma mansoni tubulin subunit beta 0.0146 1 1
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Trypanosoma brucei epsilon tubulin 0.0057 0.2941 0.2648
Echinococcus multilocularis tubulin alpha chain 0.0057 0.2941 0.2648
Trypanosoma cruzi p450 reductase, putative 0.0026 0.0462 0.0067
Echinococcus granulosus tubulin alpha chain 0.0057 0.2941 0.2648
Echinococcus multilocularis Tubulin alpha 1 chain 0.0057 0.2941 0.2648
Leishmania major beta tubulin 0.0146 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0057 0.2941 0.2648
Trichomonas vaginalis tubulin beta chain, putative 0.0057 0.2941 0.2772
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0026 0.0462 0.0067
Giardia lamblia Delta tubulin 0.0025 0.0398 0.0169
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0398 0.0169
Echinococcus multilocularis tubulin epsilon chain 0.0057 0.2941 0.2648
Echinococcus granulosus beta tubulin 0.0146 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0057 0.2941 0.2648
Leishmania major p450 reductase, putative 0.0026 0.0462 0.0235
Brugia malayi Tubulin beta chain 0.0025 0.0398 0.0398
Schistosoma mansoni tubulin subunit beta 0.0146 1 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0025 0.0398 0.5
Trichomonas vaginalis tubulin gamma chain, putative 0.0057 0.2941 0.2772
Leishmania major beta tubulin 0.0146 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0026 0.0462 0.0067
Echinococcus granulosus Tubulin beta 2C chain 0.0146 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0057 0.2941 0.2772
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0853 0.0474
Loa Loa (eye worm) hypothetical protein 0.003 0.0853 0.0474
Echinococcus multilocularis Tubulin alpha 1 chain 0.0057 0.2941 0.2648
Echinococcus granulosus Tubulin beta 2C chain 0.0146 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0032 0.099 0.0616
Entamoeba histolytica tubulin family protein 0.0146 1 1
Leishmania major beta tubulin 0.0146 1 1
Plasmodium falciparum alpha tubulin 1 0.0057 0.2941 0.2648
Trichomonas vaginalis tubulin beta chain, putative 0.0057 0.2941 0.2772
Echinococcus multilocularis tubulin beta 1 chain 0.0146 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0057 0.2941 0.2772
Schistosoma mansoni tubulin subunit beta 0.0146 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0853 0.0474
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0853 0.0474
Leishmania major beta tubulin 0.0146 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0057 0.2941 0.2648
Echinococcus granulosus tubulin alpha chain 0.0057 0.2941 0.2648
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Echinococcus granulosus tubulin alpha 0.0057 0.2941 0.2648
Loa Loa (eye worm) hypothetical protein 0.0032 0.099 0.0616
Schistosoma mansoni tubulin subunit epsilon 0.0057 0.2941 0.2648
Echinococcus granulosus tubulin subunit TubB 0.0057 0.2941 0.2648
Trichomonas vaginalis tubulin alpha chain, putative 0.0032 0.099 0.0774
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0398 0.0169
Schistosoma mansoni alpha tubulin 0.0057 0.2941 0.2648
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0026 0.0462 1
Giardia lamblia Alpha-tubulin 0.0057 0.2941 0.2772
Loa Loa (eye worm) tubulin beta-4 chain 0.0146 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0032 0.099 0.0774
Echinococcus multilocularis Tubulin beta 2C chain 0.0146 1 1
Brugia malayi flavodoxin family protein 0.0026 0.0462 0.0462
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0026 0.0462 0.0235
Plasmodium vivax tubulin epsilon chain, putative 0.0057 0.2941 0.2772
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0026 0.0462 0.0067
Trichomonas vaginalis tubulin beta chain, putative 0.0057 0.2941 0.2772
Brugia malayi alpha-tubulin 0.0057 0.2941 0.2941
Leishmania major alpha tubulin 0.0057 0.2941 0.2772
Brugia malayi Tubulin beta chain 0.0032 0.099 0.099
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0026 0.0462 0.0067
Trichomonas vaginalis tubulin alpha chain, putative 0.0057 0.2941 0.2772
Plasmodium vivax tubulin beta chain, putative 0.0146 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0146 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0057 0.2941 0.2648
Plasmodium falciparum tubulin beta chain 0.0146 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0146 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0146 1 1
Echinococcus multilocularis beta tubulin 0.0146 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0057 0.2941 0.2648
Leishmania major beta tubulin 0.0146 1 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0146 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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