Detailed information for compound 1325850

Basic information

Technical information
  • TDR Targets ID: 1325850
  • Name: 1-[(2-ethoxyphenyl)carbamoylamino]-N-(oxolan- 2-ylmethyl)cyclohexane-1-carboxamide
  • MW: 389.489 | Formula: C21H31N3O4
  • H donors: 3 H acceptors: 2 LogP: 2.62 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)NC1(CCCCC1)C(=O)NCC1CCCO1
  • InChi: 1S/C21H31N3O4/c1-2-27-18-11-5-4-10-17(18)23-20(26)24-21(12-6-3-7-13-21)19(25)22-15-16-9-8-14-28-16/h4-5,10-11,16H,2-3,6-9,12-15H2,1H3,(H,22,25)(H2,23,24,26)
  • InChiKey: UMAHSLSXCPVZAI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(2-ethoxyphenyl)carbamoylamino]-N-(tetrahydrofuran-2-ylmethyl)cyclohexane-1-carboxamide
  • 1-[[[(2-ethoxyphenyl)amino]-oxomethyl]amino]-N-(2-tetrahydrofuranylmethyl)-1-cyclohexanecarboxamide
  • 1-[(2-ethoxyphenyl)carbamoylamino]-N-(tetrahydrofurfuryl)cyclohexane-1-carboxamide
  • ASN 08831480

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein 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
Onchocerca volvulus 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
Schistosoma mansoni chromobox protein 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
Echinococcus granulosus chromobox protein 1 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 chromobox 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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin 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
Trichomonas vaginalis chromobox protein, putative 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
Onchocerca volvulus Heterochromatin protein 1 homolog 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
Loa Loa (eye worm) hypothetical protein 0.0041 0.0188 0.0188
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0458 0.7399
Echinococcus granulosus choline:ethanolamine kinase 0.0259 1 1
Echinococcus multilocularis choline:ethanolamine kinase 0.0259 1 1
Schistosoma mansoni chromobox protein 0.0084 0.2119 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1044 0.1044
Plasmodium vivax choline kinase, putative 0.0259 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1044 0.1044
Toxoplasma gondii phosphotransferase enzyme family protein 0.0259 1 0.5
Plasmodium falciparum choline kinase 0.0259 1 0.5
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0619 0.0969
Schistosoma mansoni chromobox protein 0.0084 0.2119 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2119 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0619 0.0969
Brugia malayi Heterochromatin protein 1 0.0084 0.2119 0.1969
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0619 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1044 0.0872
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1044 0.0872
Loa Loa (eye worm) hypothetical protein 0.0047 0.0458 0.0458
Loa Loa (eye worm) choline/ethanolamine kinase 0.0259 1 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0458 0.0275
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2119 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.2119 0.2119

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 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) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No 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.
 
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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