Detailed information for compound 2072379

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 339.392 | Formula: C18H21N5O2
  • H donors: 1 H acceptors: 2 LogP: 1.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1CCCN1Cc1[nH]c(=O)c2c(n1)n(C)nc2
  • InChi: 1S/C18H21N5O2/c1-22-17-14(10-19-22)18(24)21-16(20-17)11-23-9-3-4-15(23)12-5-7-13(25-2)8-6-12/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,20,21,24)
  • InChiKey: DIKYPWCGKDPAEU-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
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1636 0.8214 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1103 0.5466 1
Echinococcus multilocularis geminin 0.0312 0.1384 0.1685
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1636 0.8214 0.8214
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1636 0.8214 0.8214
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.1636 0.8214 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.1636 0.8214 0.5
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.051 0.2406 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0533 0.2524 0.2524
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0533 0.2524 0.3073
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.1636 0.8214 1
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.1636 0.8214 1
Brugia malayi N-terminal motif family protein 0.0114 0.0364 0.0443
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1636 0.8214 1
Loa Loa (eye worm) hypothetical protein 0.1043 0.5155 0.9431
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1636 0.8214 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1103 0.5466 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1636 0.8214 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1636 0.8214 0.8214
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0593 0.2835 0.3452
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0533 0.2524 0.2524
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1636 0.8214 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1636 0.8214 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0533 0.2524 0.2524
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.1636 0.8214 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1636 0.8214 0.8214
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1043 0.5155 0.6275
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.1982 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1636 0.8214 0.8214
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1636 0.8214 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1043 0.5155 0.6275
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1043 0.5155 0.9431
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1636 0.8214 1
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.1982 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1636 0.8214 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.1636 0.8214 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0114 0.0364 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1636 0.8214 0.8214
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1636 0.8214 1
Schistosoma mansoni hypothetical protein 0.0312 0.1384 0.1685
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1636 0.8214 0.8214
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0593 0.2835 0.3452
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1636 0.8214 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1636 0.8214 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0533 0.2524 0.2524
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1043 0.5155 0.9431
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1636 0.8214 0.8214
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1209 0.5024
Schistosoma mansoni hypothetical protein 0.0312 0.1384 0.1685
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1636 0.8214 0.8214
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1636 0.8214 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0533 0.2524 0.2524
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1043 0.5155 0.6275
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.1636 0.8214 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1043 0.5155 0.6275
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1636 0.8214 0.8214
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.1636 0.8214 0.5
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.1636 0.8214 1
Echinococcus granulosus geminin 0.0312 0.1384 0.1685
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1636 0.8214 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1636 0.8214 0.8214
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.1982 1 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.051 0.2406 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0364 0.0666
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1636 0.8214 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.1636 0.8214 0.8214
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.1636 0.8214 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1636 0.8214 1

Activities

No activities found for this compound.

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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