Detailed information for compound 1722949

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 373.876 | Formula: C20H24ClN3O2
  • H donors: 1 H acceptors: 1 LogP: 3.69 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)OC(c1ccccc1)CCN1CCN(CC1)c1ccccc1Cl
  • InChi: 1S/C20H24ClN3O2/c21-17-8-4-5-9-18(17)24-14-12-23(13-15-24)11-10-19(26-20(22)25)16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H2,22,25)
  • InChiKey: WMEZJLVASNMERI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni hypothetical protein 0.0049 0.149 0.1662
Loa Loa (eye worm) hypothetical protein 0.0161 0.644 0.644
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.101 1
Schistosoma mansoni alpha glucosidase 0.0038 0.101 0.0767
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.101 0.0437
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.015 0.5959 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.101 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.101 0.5
Brugia malayi intermediate filament protein 0.0029 0.0599 0.0599
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.5153 0.5153
Brugia malayi hypothetical protein 0.0028 0.0543 0.0543
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.101 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.101 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0599 0.0599
Onchocerca volvulus 0.0161 0.644 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0173 0.6976 0.6976
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.015 0.5959 0.5959
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0543 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0543 0.0543
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.101 0.5
Schistosoma mansoni alpha-glucosidase 0.0149 0.5908 0.9905
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.015 0.5959 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0599 0.0599
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.101 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.101 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0575 0.0575
Brugia malayi MH2 domain containing protein 0.0132 0.5153 0.5153
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.5153 0.5153
Schistosoma mansoni survival motor neuron protein 0.0049 0.149 0.1662
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.015 0.5959 0.5701
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.101 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0543 0.5
Trypanosoma brucei glucosidase, putative 0.0038 0.101 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0543 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0173 0.6976 0.6783
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.015 0.5959 0.5701
Brugia malayi hypothetical protein 0.0161 0.644 0.644
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.149 0.149
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.101 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.101 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0599 0.0599
Echinococcus granulosus lysosomal alpha glucosidase 0.0173 0.6976 0.6783
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.101 1
Brugia malayi hypothetical protein 0.0018 0.0106 0.0106
Schistosoma mansoni alpha-glucosidase 0.0149 0.5908 0.9905
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.015 0.5959 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0173 0.6976 0.6976
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.015 0.5959 0.5959
Echinococcus multilocularis lysosomal alpha glucosidase 0.0173 0.6976 0.6783
Onchocerca volvulus 0.01 0.3743 0.5383
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.101 0.101
Onchocerca volvulus 0.0049 0.149 0.1525
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.101 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.101 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.101 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0599 0.0599
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.015 0.5959 0.5701
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.101 0.101
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.101 0.0437
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.015 0.5959 0.5701

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 52.5 uM Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat hippocampus ChEMBL. 22386241
IC50 (binding) > 100 uM Displacement of [3H]-ketanserin from 5HT2A receptor in rat cortical membrane ChEMBL. 22386241

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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