Detailed information for compound 1174477

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.393 | Formula: C19H20FN5O
  • H donors: 0 H acceptors: 3 LogP: 2.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(c1nnnn1Cc1ccccc1)N1CCOCC1
  • InChi: 1S/C19H20FN5O/c20-17-8-6-16(7-9-17)18(24-10-12-26-13-11-24)19-21-22-23-25(19)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
  • InChiKey: BWYFHSOMGYSIKJ-UHFFFAOYSA-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
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.4158 1
Onchocerca volvulus 0.0028 0.259 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.4453 0.2515
Schistosoma mansoni hypothetical protein 0.0037 0.4453 0.2515
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Brugia malayi intermediate filament protein 0.0028 0.259 0.259
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Brugia malayi hypothetical protein 0.0016 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0024 0.1889 0.1889
Schistosoma mansoni inositol monophosphatase 0.0036 0.4158 0.2117
Loa Loa (eye worm) hypothetical protein 0.0027 0.2488 0.2488
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.259 0.259
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.6473 0.524
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.6473 0.524
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.4158 0.5
Loa Loa (eye worm) TAR-binding protein 0.0065 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.4453 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.6473 0.524
Brugia malayi hypothetical protein 0.0037 0.4453 0.4453
Brugia malayi hypothetical protein 0.0024 0.1889 0.1889
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.4158 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.4158 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.4158 0.5
Loa Loa (eye worm) intermediate filament protein 0.0028 0.259 0.259
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.4158 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.1889 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.259 0.259
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.4158 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.4453 0.2515
Entamoeba histolytica hypothetical protein 0.0037 0.4453 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.4453 0.2515
Schistosoma mansoni tar DNA-binding protein 0.0065 1 1
Brugia malayi TAR-binding protein 0.0065 1 1
Echinococcus granulosus tar DNA binding protein 0.0065 1 1
Echinococcus multilocularis tar DNA binding protein 0.0065 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.6473 0.6473
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.4158 0.2117
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.4158 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.4158 0.2117
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.6473 0.6473
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.3409 0.5
Loa Loa (eye worm) RNA binding protein 0.0065 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.4158 0.5
Onchocerca volvulus 0.0028 0.259 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.6473 0.524
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.3409 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.259 0.259
Loa Loa (eye worm) inositol-1 0.0036 0.4158 0.4158
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.1889 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.6473 0.524
Brugia malayi Inositol-1 0.0036 0.4158 0.4158
Entamoeba histolytica hypothetical protein 0.0037 0.4453 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.6473 0.524
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.1889 0.5
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.4158 0.2117
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.6473 0.524
Brugia malayi RNA recognition motif domain containing protein 0.0065 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.4158 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.4453 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 20000 nM Antagonist activity at human histamine H3 receptor ChEMBL. 20667729

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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