Detailed information for compound 1551770

Basic information

Technical information
  • TDR Targets ID: 1551770
  • Name: [2-[(3-chloro-4-methylphenyl)amino]-2-oxoethy l] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl )acetate
  • MW: 393.822 | Formula: C18H20ClN3O5
  • H donors: 2 H acceptors: 4 LogP: 2.01 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)NC2(C1=O)CCCC2)OCC(=O)Nc1ccc(c(c1)Cl)C
  • InChi: 1S/C18H20ClN3O5/c1-11-4-5-12(8-13(11)19)20-14(23)10-27-15(24)9-22-16(25)18(21-17(22)26)6-2-3-7-18/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,23)(H,21,26)
  • InChiKey: RLRKIRFNHHLKBV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(3-chloro-4-methyl-phenyl)amino]-2-oxo-ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
  • 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid [2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl] ester
  • 2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid [2-[(3-chloro-4-methyl-phenyl)amino]-2-keto-ethyl] ester
  • [2-[(3-chloro-4-methyl-phenyl)amino]-2-oxo-ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethanoate
  • ZINC06583490
  • T5435481

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 Peroxidasin 0.0556 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0016 0 0.5
Trichomonas vaginalis tubulin gamma chain, putative 0.0016 0 0.5
Trypanosoma cruzi beta tubulin, putative 0.0016 0 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) animal heme peroxidase 0.0556 1 1
Brugia malayi Animal haem peroxidase family protein 0.0556 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Echinococcus granulosus notch 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Schistosoma mansoni hypothetical protein 0.016 0.2671 0.2671
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Schistosoma mansoni lamin 0.0055 0.073 0.073
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0072 0.1035 0.1035
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0199 0.0199
Echinococcus multilocularis fat cadherin tumor suppressor 0.0072 0.1035 0.1035
Echinococcus granulosus slit 2 protein 0.0072 0.1035 0.1035
Echinococcus granulosus delta-like protein 1 0.0072 0.1035 0.1035
Echinococcus multilocularis neurogenic locus notch protein 4 0.0072 0.1035 0.1035
Onchocerca volvulus 0.0055 0.073 0.0191
Schistosoma mansoni peroxidasin 0.0556 1 1
Brugia malayi hypothetical protein 0.004 0.0442 0.0442
Echinococcus multilocularis fibropellin Ia 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0092 0.1409 0.1409
Echinococcus granulosus neurogenic locus notch protein 4 0.0072 0.1035 0.1035
Brugia malayi Calcium binding EGF domain containing protein 0.0072 0.1035 0.1035
Entamoeba histolytica hypothetical protein 0.0026 0.0184 0.4162
Echinococcus multilocularis lamin dm0 0.0055 0.073 0.073
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Onchocerca volvulus 0.0556 1 1
Entamoeba histolytica hypothetical protein 0.004 0.0442 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0.0184 0.1778
Brugia malayi Cadherin domain containing protein 0.0072 0.1035 0.1035
Entamoeba histolytica hypothetical protein 0.004 0.0442 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Onchocerca volvulus Peroxidase homolog 0.0556 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.073 0.073
Echinococcus multilocularis neurogenic locus notch protein 0.0072 0.1035 0.1035
Brugia malayi EGF-like domain containing protein 0.0072 0.1035 0.1035
Onchocerca volvulus 0.0072 0.1035 0.0514
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.2152 0.2152
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Echinococcus granulosus neurogenic locus protein delta 0.0072 0.1035 0.1035
Trichomonas vaginalis tubulin epsilon chain, putative 0.0016 0 0.5
Brugia malayi hypothetical protein 0.0167 0.2803 0.2803
Schistosoma mansoni cell polarity protein 0.0072 0.1035 0.1035
Schistosoma mansoni hypothetical protein 0.0046 0.0549 0.0549
Echinococcus multilocularis peroxidasin 0.0556 1 1
Echinococcus granulosus lamin 0.0055 0.073 0.073
Echinococcus granulosus neurogenic locus notch protein 0.0072 0.1035 0.1035
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0.0184 0.5
Brugia malayi GCC2 and GCC3 family protein 0.0072 0.1035 0.1035
Onchocerca volvulus 0.0092 0.1409 0.091
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0184 1
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0184 1
Schistosoma mansoni septate junction protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Schistosoma mansoni notch 0.0072 0.1035 0.1035
Loa Loa (eye worm) animal heme peroxidase 0.0556 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0556 1 1
Echinococcus granulosus peroxidasin 0.0556 1 1
Echinococcus multilocularis protein jagged 2 0.0072 0.1035 0.1035
Onchocerca volvulus Slit protein homolog 0.0072 0.1035 0.0514
Loa Loa (eye worm) Notch2 0.0072 0.1035 0.1035
Schistosoma mansoni lamin 0.0055 0.073 0.073
Loa Loa (eye worm) hypothetical protein 0.0026 0.0181 0.0181
Trichomonas vaginalis tubulin gamma chain, putative 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0072 0.1035 0.1035
Brugia malayi Cadherin domain containing protein 0.0072 0.1035 0.1035
Trichomonas vaginalis tubulin epsilon chain, putative 0.0016 0 0.5
Schistosoma mansoni notch 0.0072 0.1035 0.1035
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.0184 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0092 0.1409 0.1409
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Echinococcus granulosus protein jagged 2 0.0072 0.1035 0.1035
Toxoplasma gondii EGF family domain-containing protein 0.0072 0.1035 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Schistosoma mansoni survival motor neuron protein 0.0046 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0016 0 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0016 0 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Brugia malayi EGF-like domain containing protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0016 0 0.5
Schistosoma mansoni intermediate filament proteins 0.0055 0.073 0.073
Entamoeba histolytica hypothetical protein 0.004 0.0442 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Schistosoma mansoni hypothetical protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0184 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0046 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Brugia malayi Muscle positioning protein 4 0.0072 0.1035 0.1035
Onchocerca volvulus 0.0072 0.1035 0.0514
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Schistosoma mansoni notch 0.0072 0.1035 0.1035
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.0184 0.5
Mycobacterium leprae conserved hypothetical protein 0.0026 0.0184 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0254 0.0254
Brugia malayi hypothetical protein 0.0224 0.3844 0.3844
Echinococcus granulosus neural cadherin 0.0072 0.1035 0.1035
Onchocerca volvulus 0.0556 1 1
Brugia malayi Animal haem peroxidase family protein 0.0556 1 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0092 0.1409 0.1409
Trichomonas vaginalis tubulin beta chain, putative 0.0016 0 0.5
Echinococcus granulosus intermediate filament protein 0.0055 0.073 0.073
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0072 0.1035 0.1035
Trichomonas vaginalis tubulin, putative 0.0016 0 0.5
Trypanosoma cruzi tubulin gamma chain 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0181 0.0181
Trypanosoma cruzi alpha tubulin, putative 0.0016 0 0.5
Echinococcus multilocularis geminin 0.016 0.2671 0.2671
Echinococcus multilocularis lamin 0.0055 0.073 0.073
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.0184 0.5
Onchocerca volvulus 0.0167 0.2803 0.2384
Loa Loa (eye worm) intermediate filament protein 0.0055 0.073 0.073
Onchocerca volvulus 0.0072 0.1035 0.0514
Schistosoma mansoni hypothetical protein 0.0072 0.1035 0.1035
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0.0184 0.1778
Loa Loa (eye worm) blistered cuticle protein 3 0.0556 1 1
Echinococcus granulosus protein jagged 2 0.0072 0.1035 0.1035
Brugia malayi Animal haem peroxidase family protein 0.0556 1 1
Brugia malayi EGF-like domain containing protein 0.0072 0.1035 0.1035
Echinococcus granulosus L aminoadipate semialdehyde 0.0092 0.1409 0.1409
Giardia lamblia High cysteine protein 0.0072 0.1035 1
Trichomonas vaginalis tubulin beta chain, putative 0.0016 0 0.5
Onchocerca volvulus Peroxidasin homolog 0.0556 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0054 0.0711 0.0711
Onchocerca volvulus Peroxidase homolog 0.0556 1 1
Echinococcus multilocularis neurogenic locus protein delta 0.0072 0.1035 0.1035
Schistosoma mansoni hypothetical protein 0.0072 0.1035 0.1035
Brugia malayi Animal haem peroxidase family protein 0.0556 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Onchocerca volvulus 0.0055 0.073 0.0191
Echinococcus multilocularis notch 0.0072 0.1035 0.1035
Echinococcus multilocularis neural cadherin 0.0072 0.1035 0.1035
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0442 0.0442
Onchocerca volvulus 0.0556 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0199 0.0199
Brugia malayi EGF-like domain containing protein 0.0072 0.1035 0.1035
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0184 1
Brugia malayi EGF-like domain containing protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Schistosoma mansoni hypothetical protein 0.016 0.2671 0.2671
Schistosoma mansoni hypothetical protein 0.0072 0.1035 0.1035
Brugia malayi Calcium binding EGF domain containing protein 0.0072 0.1035 0.1035
Brugia malayi EGF-like domain containing protein 0.0072 0.1035 0.1035
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0.0184 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Brugia malayi Animal haem peroxidase family protein 0.0556 1 1
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0442 0.0442
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Brugia malayi MH2 domain containing protein 0.0132 0.2152 0.2152
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0442 0.0442
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Onchocerca volvulus Neurogenic locus notch homolog 0.0072 0.1035 0.0514
Schistosoma mansoni notch 0.0072 0.1035 0.1035
Echinococcus granulosus geminin 0.016 0.2671 0.2671
Echinococcus granulosus survival motor neuron protein 1 0.0224 0.3844 0.3844
Trichomonas vaginalis tubulin beta chain, putative 0.0016 0 0.5
Echinococcus granulosus fibropellin Ia 0.0072 0.1035 0.1035
Loa Loa (eye worm) notch protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Brugia malayi EGF-like domain containing protein 0.0072 0.1035 0.1035
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0072 0.1035 0.0514
Loa Loa (eye worm) animal heme peroxidase 0.0556 1 1
Schistosoma mansoni slit 0.0072 0.1035 0.1035
Echinococcus multilocularis slit 2 protein 0.0072 0.1035 0.1035
Schistosoma mansoni hypothetical protein 0.004 0.0442 0.0442
Loa Loa (eye worm) hypothetical protein 0.0167 0.2803 0.2803
Schistosoma mansoni notch 0.0072 0.1035 0.1035
Brugia malayi Blistered cuticle protein 3 0.0556 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.073 0.073
Trypanosoma cruzi epsilon tubulin, putative 0.0016 0 0.5
Echinococcus multilocularis protein jagged 1 0.0072 0.1035 0.1035
Trichomonas vaginalis tubulin gamma chain, putative 0.0016 0 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0016 0 0.5
Echinococcus multilocularis neurogenic locus notch protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Echinococcus multilocularis survival motor neuron protein 1 0.0224 0.3844 0.3844
Echinococcus granulosus neurogenic locus notch protein 0.0072 0.1035 0.1035
Schistosoma mansoni hypothetical protein 0.0072 0.1035 0.1035
Echinococcus granulosus protein jagged 1 0.0072 0.1035 0.1035
Brugia malayi intermediate filament protein 0.0055 0.073 0.073
Onchocerca volvulus 0.0072 0.1035 0.0514
Trichomonas vaginalis tubulin epsilon chain, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0016 0 0.5
Brugia malayi Delta serrate ligand family protein 0.0072 0.1035 0.1035
Trichomonas vaginalis tubulin alpha chain, putative 0.0016 0 0.5
Onchocerca volvulus Peroxidasin homolog 0.0556 1 1
Onchocerca volvulus 0.0072 0.1035 0.0514
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Schistosoma mansoni peroxidasin 0.0556 1 1
Schistosoma mansoni laminin gamma-3 chain 0.0072 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Echinococcus granulosus lamin dm0 0.0055 0.073 0.073
Trichomonas vaginalis tubulin alpha chain, putative 0.0016 0 0.5
Echinococcus multilocularis protein jagged 1 0.0072 0.1035 0.1035
Onchocerca volvulus Dual oxidase homolog 0.0556 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.3844 0.3844
Schistosoma mansoni hypothetical protein 0.0072 0.1035 0.1035
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.2152 0.2152
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.0184 0.5
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Echinococcus granulosus protein jagged 1 0.0072 0.1035 0.1035
Schistosoma mansoni notch 0.0072 0.1035 0.1035
Echinococcus multilocularis musashi 0.0055 0.073 0.073
Onchocerca volvulus Chorion peroxidase homolog 0.0556 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1035 0.1035
Brugia malayi notch-like transmembrane receptor 0.0072 0.1035 0.1035
Onchocerca volvulus Putative cubilin 0.0072 0.1035 0.0514
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.073 0.073
Echinococcus multilocularis neurogenic locus protein delta 0.0072 0.1035 0.1035
Entamoeba histolytica hypothetical protein 0.004 0.0442 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0092 0.1409 0.1409

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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