Detailed information for compound 200264

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 321.416 | Formula: C20H23N3O
  • H donors: 0 H acceptors: 1 LogP: 2.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CC/N=C/1\c2ccccc2CN(c2c1cccc2)C(=O)C)C
  • InChi: 1S/C20H23N3O/c1-15(24)23-14-16-8-4-5-9-17(16)20(21-12-13-22(2)3)18-10-6-7-11-19(18)23/h4-11H,12-14H2,1-3H3/b21-20+
  • InChiKey: VEWXYNMTJFGPCI-QZQOTICOSA-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
Trichomonas vaginalis set domain proteins, putative 0.026 0.4799 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0392 0.0392
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0025 0.0025
Trypanosoma brucei glucosidase, putative 0.004 0.0171 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0179 0.3094 0.644
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0171 0.5
Schistosoma mansoni hypothetical protein 0.0143 0.2346 0.6903
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0171 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0392 0.109
Schistosoma mansoni alpha-glucosidase 0.0154 0.2571 0.7571
Echinococcus multilocularis geminin 0.0193 0.3387 0.337
Schistosoma mansoni hypothetical protein 0.0193 0.3387 1
Schistosoma mansoni alpha-glucosidase 0.0154 0.2571 0.7571
Onchocerca volvulus 0.0103 0.151 0.311
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0392 0.0367
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0171 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0171 0.0305
Brugia malayi Glycosyl hydrolases family 31 protein 0.0179 0.3094 0.644
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0143 0.2346 0.2346
Echinococcus granulosus neuropeptide receptor A26 0.0507 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0171 0.0146
Onchocerca volvulus 0.0053 0.0449 0.0888
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0392 0.109
Echinococcus granulosus survival motor neuron protein 1 0.0259 0.479 0.479
Echinococcus multilocularis thyroid hormone receptor alpha 0.0163 0.2769 0.275
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0171 0.0171
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0392 0.0769
Schistosoma mansoni thyroid hormone receptor 0.0163 0.2769 0.8161
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0143 0.2346 0.2327
Echinococcus granulosus geminin 0.0193 0.3387 0.3387
Schistosoma mansoni hypothetical protein 0.0053 0.0449 0.1261
Brugia malayi hypothetical protein 0.0259 0.479 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.3094 0.3076
Onchocerca volvulus 0.026 0.4799 1
Echinococcus multilocularis neuropeptide s receptor 0.0507 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 0.479 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0392 0.0769
Plasmodium vivax SET domain protein, putative 0.0033 0.0025 0.5
Schistosoma mansoni thyroid hormone receptor 0.0163 0.2769 0.8161
Echinococcus multilocularis neuropeptide receptor A26 0.0507 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0449 0.089
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0171 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.4136 0.8628
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0392 0.0367
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0392 0.109
Schistosoma mansoni survival motor neuron protein 0.0053 0.0449 0.1261
Echinococcus multilocularis survival motor neuron protein 1 0.0259 0.479 0.4776
Schistosoma mansoni hypothetical protein 0.0193 0.3387 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0171 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0171 0.5
Schistosoma mansoni alpha glucosidase 0.004 0.0171 0.0432
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0392 0.0392
Brugia malayi Pre-SET motif family protein 0.0228 0.4136 0.8628
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.3094 0.3076
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0171 0.0305
Echinococcus granulosus lysosomal alpha glucosidase 0.0179 0.3094 0.3094

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 100 mg kg-1 The effect of the compound on ataxia in mice following oral administration ChEMBL. 7265119
ED50 (functional) = 100 mg kg-1 The effect of the compound on ataxia in mice following oral administration ChEMBL. 7265119
ED50 (functional) > 125 mg kg-1 Antidepressant activity by determining the reversal of tetrabenazine-induced ptosis upon oral administration ChEMBL. 7265119
ED50 (functional) > 125 mg kg-1 Antidepressant activity by determining the decreased exploratory activity in mice upon oral administration ChEMBL. 7265119
ED50 (functional) > 125 mg kg-1 Antidepressant activity by determining the reversal of tetrabenazine-induced ptosis upon oral administration ChEMBL. 7265119
ED50 (functional) > 125 mg kg-1 Antidepressant activity by determining the decreased exploratory activity in mice upon oral administration ChEMBL. 7265119
ED50 (functional) = 200 mg kg-1 Effect on pupil dilation was measured in mice upon oral administration ChEMBL. 7265119
ED50 (functional) = 200 mg kg-1 Effect on pupil dilation was measured in mice upon oral administration ChEMBL. 7265119
ED50 (functional) > 324 mg kg-1 The effect of the compound on excitement was measured in mice following oral administration ChEMBL. 7265119
ED50 (functional) > 324 mg kg-1 The effect of the compound on electroshock protection in mice following oral administration ChEMBL. 7265119
ED50 (functional) > 324 mg kg-1 The effect of the compound on 24-hour mortality in mice following oral administration ChEMBL. 7265119
ED50 (functional) > 324 mg kg-1 The effect of the compound on excitement was measured in mice following oral administration ChEMBL. 7265119
ED50 (functional) > 324 mg kg-1 The effect of the compound on electroshock protection in mice following oral administration ChEMBL. 7265119
ED50 (functional) > 324 mg kg-1 The effect of the compound on 24-hour mortality in mice following oral administration ChEMBL. 7265119

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

1 literature reference was collected for this gene.

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