Detailed information for compound 1461542

Basic information

Technical information
  • TDR Targets ID: 1461542
  • Name: 2-(4-chlorophenoxy)-1-(4-methyl-1,4-diazepan- 1-yl)ethanone
  • MW: 282.766 | Formula: C14H19ClN2O2
  • H donors: 0 H acceptors: 1 LogP: 2.22 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCCN(CC1)C(=O)COc1ccc(cc1)Cl
  • InChi: 1S/C14H19ClN2O2/c1-16-7-2-8-17(10-9-16)14(18)11-19-13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3
  • InChiKey: FOGOQJKYRLLMFU-UHFFFAOYSA-N  

Network

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Synonyms

  • IVK/0015326

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
Echinococcus multilocularis serotonin receptor 0.0339 0.8047 0.8047
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0401 0.9856 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0351 0.8404 0.1827
Onchocerca volvulus 0.0339 0.8047 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0339 0.8047 0.8047
Onchocerca volvulus 0.0339 0.8047 0.5
Echinococcus multilocularis neuropeptide receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis G protein coupled receptor 139 0.0339 0.8047 0.8047
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis neuropeptide Y receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0339 0.8047 0.8047
Onchocerca volvulus 0.0339 0.8047 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0339 0.8047 0.8047
Onchocerca volvulus 0.0339 0.8047 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0401 0.9856 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0339 0.8047 0.8047
Schistosoma mansoni immunophilin 0.0406 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0339 0.8047 0.8047
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0401 0.9856 0.5
Onchocerca volvulus 0.0339 0.8047 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0339 0.8047 0.8047
Echinococcus multilocularis sex peptide receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis neuropeptides capa receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis neuropeptide Y receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0339 0.8047 0.8047
Echinococcus multilocularis rhodopsin orphan GPCR 0.0339 0.8047 0.8047
Echinococcus multilocularis fmrfamide receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0339 0.8047 0.8047
Loa Loa (eye worm) hypothetical protein 0.0346 0.8261 0.1179
Echinococcus multilocularis g protein coupled receptor 0.0339 0.8047 0.8047
Trichomonas vaginalis fk506-binding protein, putative 0.0401 0.9856 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0339 0.8047 0.8047
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0406 1 0.5
Onchocerca volvulus 0.0339 0.8047 0.5
Leishmania major peptidylprolyl isomerase-like protein 0.0401 0.9856 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0339 0.8047 0.8047
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0401 0.9856 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0339 0.8047 0.5
Echinococcus multilocularis somatostatin receptor 0.0339 0.8047 0.8047
Onchocerca volvulus 0.0339 0.8047 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0401 0.9856 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0401 0.9856 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0339 0.8047 0.8047
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0406 1 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0339 0.8047 0.8047
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0401 0.9856 0.5
Loa Loa (eye worm) FKBP5 protein 0.0401 0.9856 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0351 0.8404 0.8404
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis rhodopsin orphan GPCR 0.0339 0.8047 0.8047
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0401 0.9856 0.9264
Echinococcus multilocularis rhodopsin orphan GPCR 0.0339 0.8047 0.8047
Onchocerca volvulus 0.0339 0.8047 0.5
Echinococcus multilocularis g protein coupled receptor 0.0339 0.8047 0.8047
Onchocerca volvulus 0.0339 0.8047 0.5
Onchocerca volvulus 0.0339 0.8047 0.5
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0401 0.9856 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0401 0.9856 1
Echinococcus multilocularis orexin receptor type 2 0.0339 0.8047 0.8047
Leishmania major fk506-binding protein 1-like protein 0.0401 0.9856 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis neuropeptide receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0339 0.8047 0.8047
Trichomonas vaginalis immunophilin, putative 0.0401 0.9856 0.5
Schistosoma mansoni immunophilin 0.0406 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis rhodopsin orphan GPCR 0.0339 0.8047 0.8047
Echinococcus multilocularis dro:myosuppressin receptor 0.0339 0.8047 0.8047
Onchocerca volvulus 0.0339 0.8047 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0339 0.8047 0.8047
Onchocerca volvulus 0.0339 0.8047 0.5
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0401 0.9856 0.5
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0401 0.9856 0.5
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0401 0.9856 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0339 0.8047 0.8047
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0401 0.9856 0.5
Onchocerca volvulus 0.0339 0.8047 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0401 0.9856 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0401 0.9856 0.5
Onchocerca volvulus 0.0339 0.8047 0.5
Onchocerca volvulus 0.0339 0.8047 0.5
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0401 0.9856 0.5
Onchocerca volvulus 0.0339 0.8047 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis serotonin receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0339 0.8047 0.8047
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0401 0.9856 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0406 1 1
Onchocerca volvulus 0.0339 0.8047 0.5
Echinococcus multilocularis fk506 binding protein 0.0401 0.9856 0.9856
Echinococcus multilocularis fmrfamide receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis g-protein coupled receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis g protein coupled receptor 0.0339 0.8047 0.8047
Onchocerca volvulus Neuropeptide F receptor homolog 0.0339 0.8047 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0339 0.8047 0.8047
Schistosoma mansoni immunophilin 0.0351 0.8404 0.1827
Echinococcus multilocularis allatostatin A receptor 0.0339 0.8047 0.8047
Echinococcus multilocularis G-protein coupled receptor, putative 0.0339 0.8047 0.8047
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0401 0.9856 0.9264

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs ChEMBL. 21169023

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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