Detailed information for compound 1485666

Basic information

Technical information
  • TDR Targets ID: 1485666
  • Name: [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dich lorophenyl)acetate
  • MW: 330.206 | Formula: C15H17Cl2NO3
  • H donors: 1 H acceptors: 2 LogP: 3.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1c(Cl)cccc1Cl)OCC(=O)NC1CCCC1
  • InChi: 1S/C15H17Cl2NO3/c16-12-6-3-7-13(17)11(12)8-15(20)21-9-14(19)18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,18,19)
  • InChiKey: TYDQZEUMJPPZRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(cyclopentylamino)-2-oxo-ethyl] 2-(2,6-dichlorophenyl)acetate
  • 2-(2,6-dichlorophenyl)acetic acid [2-(cyclopentylamino)-2-oxoethyl] ester
  • 2-(2,6-dichlorophenyl)acetic acid [2-(cyclopentylamino)-2-keto-ethyl] ester
  • [2-(cyclopentylamino)-2-oxo-ethyl] 2-(2,6-dichlorophenyl)ethanoate
  • T0514-3051
  • Oprea1_755182
  • ZINC03273837

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus chromobox protein 1 0.0084 1 1
Echinococcus multilocularis chromobox protein 1 0.0084 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.838 0.8223
Schistosoma mansoni tar DNA-binding protein 0.0076 0.838 0.8223
Trichomonas vaginalis chromobox protein, putative 0.0084 1 1
Brugia malayi TAR-binding protein 0.0076 0.838 0.8223
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.838 0.8223
Loa Loa (eye worm) TAR-binding protein 0.0076 0.838 0.838
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.216 0.7399
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.4925 0.4925
Echinococcus multilocularis chromobox protein 1 0.0084 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.838 0.838
Echinococcus granulosus chromobox protein 1 0.0084 1 1
Brugia malayi chromobox protein homolog 3 0.0047 0.216 0.1398
Trichomonas vaginalis chromobox protein, putative 0.0084 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.838 0.8223
Schistosoma mansoni chromobox protein 0.0084 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.4925 0.4432
Loa Loa (eye worm) hypothetical protein 0.0047 0.216 0.216
Loa Loa (eye worm) RNA binding protein 0.0076 0.838 0.838
Schistosoma mansoni tar DNA-binding protein 0.0076 0.838 0.8223
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.292 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.4925 0.4432
Trichomonas vaginalis chromobox protein, putative 0.0051 0.292 0.0969
Loa Loa (eye worm) heterochromatin protein 1 0.0084 1 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.292 0.0969
Loa Loa (eye worm) hypothetical protein 0.0041 0.0886 0.0886
Schistosoma mansoni tar DNA-binding protein 0.0076 0.838 0.8223
Schistosoma mansoni chromobox protein 0.0084 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.4925 0.4925
Brugia malayi RNA binding protein 0.0076 0.838 0.8223

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.