Detailed information for compound 1838524

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 368.431 | Formula: C23H20N4O
  • H donors: 1 H acceptors: 1 LogP: 4.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1/C=N/Nc1nc2ccccc2c(=O)n1Cc1ccccc1
  • InChi: 1S/C23H20N4O/c1-17-9-5-6-12-19(17)15-24-26-23-25-21-14-8-7-13-20(21)22(28)27(23)16-18-10-3-2-4-11-18/h2-15H,16H2,1H3,(H,25,26)/b24-15+
  • InChiKey: HMHVAHAEUAZEEV-BUVRLJJBSA-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
Echinococcus multilocularis phosphoglycerate kinase 1 0.0192 0.6808 0.9721
Loa Loa (eye worm) beta-lactamase 0.0042 0.0368 0.0213
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0105 0.3083 0.4339
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.099 0.1159
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0192 0.6808 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0368 0.0213
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0192 0.6808 0.6686
Loa Loa (eye worm) hypothetical protein 0.0042 0.0368 0.0213
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0071 0.1601 0.1914
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.3835 0.5633
Loa Loa (eye worm) hypothetical protein 0.0042 0.0368 0.0213
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.099 0.1159
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0192 0.6808 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0074 0.1772 0.2282
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0123 0.3835 0.5633
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0074 0.1772 0.2602
Brugia malayi beta-lactamase family protein 0.0042 0.0368 0.0213
Toxoplasma gondii ABC1 family protein 0.0042 0.0368 0.054
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0192 0.6808 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.3083 0.422
Echinococcus multilocularis geminin 0.0196 0.6993 1
Trypanosoma brucei phosphoglycerate kinase 0.0192 0.6808 1
Leishmania major phosphoglycerate kinase C, glycosomal 0.0192 0.6808 1
Brugia malayi Phosphoglycerate kinase 0.0192 0.6808 1
Chlamydia trachomatis phosphoglycerate kinase 0.0192 0.6808 1
Brugia malayi 6-phosphofructokinase 0.0123 0.3835 0.5482
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.3083 0.422
Schistosoma mansoni 6-phosphofructokinase 0.0123 0.3835 0.5332
Plasmodium vivax phosphoglycerate kinase, putative 0.0192 0.6808 1
Brugia malayi 6-phosphofructokinase 0.0123 0.3835 0.5482
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0192 0.6808 1
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.3835 0.5633
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0368 0.0213
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.1772 0.218
Mycobacterium ulcerans 6-phosphofructokinase 0.0123 0.3835 0.5384
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0368 0.054
Giardia lamblia Phosphoglycerate kinase 0.0192 0.6808 1
Treponema pallidum phosphoglycerate kinase 0.0192 0.6808 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0368 0.0213
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0074 0.1772 0.2119
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.3835 0.5633
Onchocerca volvulus 0.0042 0.0368 0.5
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0074 0.1772 0.2346
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0123 0.3835 0.5384
Schistosoma mansoni 6-phosphofructokinase 0.0123 0.3835 0.5332
Loa Loa (eye worm) 6-phosphofructokinase 0.0123 0.3835 0.5482
Onchocerca volvulus 0.0042 0.0368 0.5
Schistosoma mansoni hypothetical protein 0.0196 0.6993 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.3083 0.4098
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0192 0.6808 0.5
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0123 0.3835 0.36
Onchocerca volvulus 0.0042 0.0368 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0105 0.3083 0.4339
Echinococcus granulosus 6 phosphofructokinase 0.0123 0.3835 0.5234
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.099 0.1159
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0368 0.0207
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0071 0.1601 0.1914
Trypanosoma brucei phosphoglycerate kinase 0.0192 0.6808 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0123 0.3835 0.5384
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0071 0.1601 0.1914
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0074 0.1772 0.2346
Echinococcus granulosus phosphoglycerate kinase 1 0.0192 0.6808 0.9721
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0074 0.1772 0.218
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0071 0.1601 0.1914
Trypanosoma brucei phosphoglycerate kinase, putative 0.0071 0.1601 0.1914
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0368 0.054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.3083 0.422
Loa Loa (eye worm) hypothetical protein 0.0042 0.0368 0.0213
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.3835 0.5633
Schistosoma mansoni phosphoglycerate kinase 0.0192 0.6808 0.9727
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0123 0.3835 0.5384
Leishmania major ATP-dependent phosphofructokinase 0.0123 0.3835 0.5384
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0368 0.0213
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0074 0.1772 0.2119
Mycobacterium ulcerans phosphoglycerate kinase 0.0192 0.6808 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0368 0.0213
Brugia malayi phosphofructokinase 0.0123 0.3835 0.5482
Schistosoma mansoni hypothetical protein 0.0196 0.6993 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0071 0.1601 0.1914
Leishmania major phosphoglycerate kinase B, cytosolic 0.0192 0.6808 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0192 0.6808 1
Echinococcus granulosus geminin 0.0196 0.6993 1
Schistosoma mansoni phosphoglycerate kinase 0.0192 0.6808 0.9727
Loa Loa (eye worm) 6-phosphofructokinase 0.0123 0.3835 0.5482
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.3083 0.4098
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.3835 0.5633
Echinococcus multilocularis transcription factor Dp 1 0.0043 0.0428 0.009
Brugia malayi beta-lactamase 0.0042 0.0368 0.0213
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0368 0.054
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0368 0.054
Echinococcus granulosus transcription factor Dp 1 0.0043 0.0428 0.009
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0368 0.054
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.3835 0.5633
Loa Loa (eye worm) phosphofructokinase 0.0123 0.3835 0.5482
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0071 0.1601 0.1914
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.3835 0.5633
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.3083 0.4098
Brugia malayi beta-lactamase family protein 0.0042 0.0368 0.0213
Plasmodium falciparum phosphoglycerate kinase 0.0192 0.6808 1
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0192 0.6808 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.1772 0.218
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0368 0.0207
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.1772 0.218
Trypanosoma brucei phosphoglycerate kinase 0.0071 0.1601 0.1914
Trichomonas vaginalis esterase, putative 0.0042 0.0368 0.054
Loa Loa (eye worm) hypothetical protein 0.0192 0.6808 1
Brugia malayi Phosphoglycerate kinase 0.0071 0.1601 0.2086
Entamoeba histolytica phosphoglycerate kinase, putative 0.0192 0.6808 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.099 0.1159
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.3083 0.4098
Echinococcus multilocularis 6 phosphofructokinase 0.0123 0.3835 0.5234
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0368 0.054
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0192 0.6808 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 32 % Analgesic activity in Mus musculus Wistar albino (mouse) at 10 mg/kg, po after 3 hr by tail-flick test (Rvb = 4 +/- 0.91%) ChEMBL. No reference
Activity (functional) = 39 % Analgesic activity in Mus musculus Wistar albino (mouse) at 20 mg/kg, po after 3 hr by tail-flick test (Rvb = 4 +/- 0.91%) ChEMBL. No reference
Activity (functional) = 44 % Analgesic activity in Mus musculus Wistar albino (mouse) at 10 mg/kg, po after 30 min by tail-flick test (Rvb = 2 +/- 0.35%) ChEMBL. No reference
Activity (functional) = 48 % Analgesic activity in Mus musculus Wistar albino (mouse) at 10 mg/kg, po after 1 hr by tail-flick test (Rvb = 6 +/- 0.49%) ChEMBL. No reference
Activity (functional) = 48 % Analgesic activity in Mus musculus Wistar albino (mouse) at 10 mg/kg, po after 2 hr by tail-flick test (Rvb = 4 +/- 0.59%) ChEMBL. No reference
Activity (functional) = 52 % Analgesic activity in Mus musculus Wistar albino (mouse) at 20 mg/kg, po after 30 min by tail-flick test (Rvb = 2 +/- 0.35%) ChEMBL. No reference
Activity (functional) = 58 % Analgesic activity in Mus musculus Wistar albino (mouse) at 20 mg/kg, po after 1 hr by tail-flick test (Rvb = 6 +/- 0.49%) ChEMBL. No reference
Activity (functional) = 59 % Analgesic activity in Mus musculus Wistar albino (mouse) at 20 mg/kg, po after 2 hr by tail-flick test (Rvb = 4 +/- 0.59%) ChEMBL. No reference

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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