Detailed information for compound 1182185

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 402.446 | Formula: C23H22N4O3
  • H donors: 0 H acceptors: 3 LogP: 3.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCOCC1)Cn1cc(c2c1cccc2)c1onc(n1)Cc1ccccc1
  • InChi: 1S/C23H22N4O3/c28-22(26-10-12-29-13-11-26)16-27-15-19(18-8-4-5-9-20(18)27)23-24-21(25-30-23)14-17-6-2-1-3-7-17/h1-9,15H,10-14,16H2
  • InChiKey: XTCXQKLOFIMETE-UHFFFAOYSA-N  

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 fructose-bisphosphate aldolase, putative 0.0292 0.1382 1
Echinococcus granulosus muscleblind protein 0.031 0.1489 0.4033
Schistosoma mansoni hypothetical protein 0.029 0.1369 0.3707
Loa Loa (eye worm) hypothetical protein 0.031 0.1489 1
Treponema pallidum fructose-bisphosphate aldolase 0.0292 0.1382 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.1382 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.1382 0.5
Echinococcus multilocularis muscleblind protein 0.031 0.1489 0.4033
Loa Loa (eye worm) hypothetical protein 0.031 0.1489 1
Echinococcus multilocularis microtubule associated protein 2 0.0689 0.3693 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0188 0.0776 0.2102
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0302 0.1439 1
Echinococcus granulosus microtubule associated protein 2 0.0689 0.3693 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0302 0.1439 1
Echinococcus multilocularis muscleblind protein 1 0.031 0.1489 0.4033
Mycobacterium ulcerans glutaminase 0.0273 0.1272 1
Loa Loa (eye worm) glutaminase 2 0.0273 0.1272 0.8544
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.1382 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.1382 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 0.1382 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.1382 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.1382 1
Mycobacterium ulcerans hypothetical protein 0.0159 0.0609 0.3093
Mycobacterium leprae Conserved hypothetical protein 0.0632 0.3361 1
Schistosoma mansoni glutaminase 0.0273 0.1272 0.3446
Leishmania major mitochondrial DNA polymerase beta 0.0302 0.1439 1
Loa Loa (eye worm) glutaminase 0.0273 0.1272 0.8544
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.0514 0.2107
Brugia malayi glutaminase DH11.1 0.0273 0.1272 0.8544
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0302 0.1439 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0188 0.0776 0.2102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.1382 1
Chlamydia trachomatis recombinase RecA 0.0108 0.0311 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.1382 1
Wolbachia endosymbiont of Brugia malayi recombinase A 0.0108 0.0311 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.1382 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0159 0.0609 0.01
Schistosoma mansoni microtubule-associated protein tau 0.0689 0.3693 1
Brugia malayi Muscleblind-like protein 0.031 0.1489 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.0514 0.0664
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.1666 0.9373 0.9339

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Displacement of [3H]WIN-55212-2 from CB2 receptor in Sprague-Dawley rat spleen membrane ChEMBL. 17582659
Inhibition (functional) = 17 % Agonist activity at CB1 receptor in electrically-stimulated Swiss mouse vas deferens at 1.0 uM ChEMBL. 17582659

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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