Detailed information for compound 37849

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.83 | Formula: C20H19ClN2O2
  • H donors: 0 H acceptors: 1 LogP: 3.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1(OCC(O1)c1ccc(cc1)Cl)Cn1ccnc1
  • InChi: 1S/C20H19ClN2O2/c1-15-2-6-17(7-3-15)20(13-23-11-10-22-14-23)24-12-19(25-20)16-4-8-18(21)9-5-16/h2-11,14,19H,12-13H2,1H3
  • InChiKey: YEFXQLLIGSJVJU-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
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1594 0.708 0.7017
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1594 0.708 0.5
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.205 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1594 0.708 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1594 0.708 0.5
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1072 0.3729 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1594 0.708 1
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.205 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1594 0.708 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1594 0.708 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.1594 0.708 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1594 0.708 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1594 0.708 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1594 0.708 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1594 0.708 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.205 1 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.1594 0.708 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1594 0.708 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1594 0.708 0.7017
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1012 0.335 0.4254
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1594 0.708 0.7017
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0582 0.059 0.0552
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1594 0.708 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1594 0.708 0.7017
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1594 0.708 1
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.1594 0.708 0.5
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.1594 0.708 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.049 0 0.5
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.1594 0.708 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1594 0.708 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1594 0.708 0.7017
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.049 0 0.5
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.1594 0.708 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1594 0.708 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.1594 0.708 0.5
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.1594 0.708 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.1594 0.708 0.5
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1072 0.3729 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1594 0.708 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1594 0.708 0.7017
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1012 0.335 0.3624
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1594 0.708 0.7017
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.1594 0.708 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1012 0.335 0.3624
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1012 0.335 0.4254

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) < 1 ug ml-1 Antifungal activity against Microsporum canis ChEMBL. 7310813
Inhibition (functional) < 1 ug ml-1 Antifungal activity against Trychophyton mentagrophytes ChEMBL. 7310813
Inhibition (functional) < 1 ug ml-1 Antifungal activity against Trychophyton rubrum ChEMBL. 7310813
Inhibition (functional) < 1 ug ml-1 Antifungal activity against Cryptococcus neoformans ChEMBL. 7310813
Inhibition (functional) < 1 ug ml-1 Antifungal activity against Aspergillus fumigatus ChEMBL. 7310813
Inhibition (functional) < 1 ug ml-1 Antibacterial activity against Erysipelothrix insidiosa ChEMBL. 7310813
Inhibition (functional) < 1 ug ml-1 Antibacterial activity against Streptococcus pyogenes ChEMBL. 7310813
Inhibition (functional) < 1 ug ml-1 Antifungal activity against Cryptococcus neoformans ChEMBL. 7310813
Inhibition (functional) = 10 ug ml-1 Antifungal activity against Mucor species ChEMBL. 7310813
Inhibition (functional) = 10 ug ml-1 Antifungal activity against Sporothrix schenck ii ChEMBL. 7310813
Inhibition (functional) = 10 ug ml-1 Antibacterial against Staphylococcus hemolyticus ChEMBL. 7310813
Inhibition (functional) = 100 ug ml-1 Antifungal activity against Phialophora verrucosa ChEMBL. 7310813
Inhibition (functional) = 100 ug ml-1 Antifungal activity against Candida tropicalis ChEMBL. 7310813
Inhibition (functional) > 100 ug ml-1 Antifungal activity against Candida albicans ChEMBL. 7310813
Inhibition (functional) = 100 ug ml-1 Antifungal activity against Saprolegnia species ChEMBL. 7310813
Inhibition (functional) > 100 ug ml-1 Antifungal activity against Candida albicans ChEMBL. 7310813
Ratio (functional) = 0 Ratio of animals cured to that of animals dead, Tested in vivo for antifungal activity against vaginal candidosis in rat; 0/2 ChEMBL. 7310813
Ratio (functional) = 0 Ratio of animals cured to that of animals infected, tested in vivo for antifungal activity against cutaneous candidosis in guinea pig; 0/2 ChEMBL. 7310813

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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