Detailed information for compound 1062079

Basic information

Technical information
  • TDR Targets ID: 1062079
  • Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoeth yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-y l)acetate
  • MW: 428.267 | Formula: C18H19Cl2N3O5
  • H donors: 2 H acceptors: 4 LogP: 2.21 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccc(cc1Cl)Cl)COC(=O)CN1C(=O)NC2(C1=O)CCCC2
  • InChi: 1S/C18H19Cl2N3O5/c19-12-4-3-11(13(20)7-12)8-21-14(24)10-28-15(25)9-23-16(26)18(22-17(23)27)5-1-2-6-18/h3-4,7H,1-2,5-6,8-10H2,(H,21,24)(H,22,27)
  • InChiKey: XIHVFNWAXUSTFH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(2,4-dichlorophenyl)methylamino]-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-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester
  • 2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid [2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester
  • [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethanoate
  • T5387158

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
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0356 0.0356
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0106 0.3067 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0773 0.266
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0594 0.1977
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0356 0.1071
Loa Loa (eye worm) beta-lactamase 0.0042 0.0356 0.1071
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0098 0.2699 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0594 0.1977
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0098 0.2699 1
Mycobacterium leprae Probable lipase LipE 0.0042 0.0356 0.5
Brugia malayi glucose-6-phosphate dehydrogenase 0.0098 0.2699 1
Onchocerca volvulus 0.0042 0.0356 0.5
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0106 0.3067 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0106 0.3067 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0356 0.1071
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0356 0.0356
Mycobacterium tuberculosis Conserved protein 0.0042 0.0356 0.0356
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0058 0.101 0.2791
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0106 0.3067 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0106 0.3067 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0098 0.2699 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0042 0.0356 0.1071
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0356 0.0356
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0594 0.1014
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0064 0.1266 0.3355
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0098 0.2699 1
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0356 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0356 0.1071
Loa Loa (eye worm) hypothetical protein 0.0042 0.0356 0.1071
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0098 0.2699 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0773 0.266
Mycobacterium tuberculosis Conserved protein 0.0042 0.0356 0.0356
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0058 0.101 0.2791
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0773 0.266
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0594 0.1977
Onchocerca volvulus 0.0042 0.0356 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0356 0.1071
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0773 0.266
Schistosoma mansoni lipoxygenase 0.0058 0.101 0.3564
Loa Loa (eye worm) hypothetical protein 0.0042 0.0356 0.1071
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0106 0.3067 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0594 0.1977
Brugia malayi beta-lactamase family protein 0.0042 0.0356 0.1071
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0098 0.2699 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0594 0.1977
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0106 0.3067 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0098 0.2699 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0356 0.0356
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0594 0.1014
Mycobacterium tuberculosis Conserved protein 0.0042 0.0356 0.0356
Brugia malayi beta-lactamase 0.0042 0.0356 0.1071
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0064 0.1266 0.3882
Loa Loa (eye worm) hypothetical protein 0.0042 0.0356 0.1071
Brugia malayi beta-lactamase family protein 0.0042 0.0356 0.1071
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0098 0.2699 0.5
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0098 0.2699 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0356 0.0356
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0594 0.1014
Onchocerca volvulus 0.0042 0.0356 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0356 0.1071
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0098 0.2699 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0594 0.1014
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0356 0.0356
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0356 0.1071

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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