Detailed information for compound 1837493

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 288.32 | Formula: C15H17FN4O
  • H donors: 2 H acceptors: 1 LogP: 2.56 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N/N=C/C1=NC2CCCCC2NC1=O
  • InChi: 1S/C15H17FN4O/c16-10-5-7-11(8-6-10)20-17-9-14-15(21)19-13-4-2-1-3-12(13)18-14/h5-9,12-13,20H,1-4H2,(H,19,21)/b17-9+
  • InChiKey: BQJRMZXQEZTJTL-RQZCQDPDSA-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
Plasmodium vivax aspartyl protease, putative 0.0533 0.0436 0.1281
Plasmodium falciparum plasmepsin X 0.0533 0.0436 0.1281
Plasmodium falciparum plasmepsin IV 0.0533 0.0436 0.1281
Brugia malayi hypothetical protein 0.0533 0.0436 0.0761
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.3943 0.3406 1
Brugia malayi hypothetical protein 0.0537 0.044 0.0767
Schistosoma mansoni hypothetical protein 0.0036 0.0004 0.0004
Plasmodium vivax plasmepsin V, putative 0.0533 0.0436 0.1281
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0533 0.0436 0.0436
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.6615 0.5733 1
Entamoeba histolytica hypothetical protein 0.0036 0.0004 1
Plasmodium falciparum plasmepsin I 0.0533 0.0436 0.1281
Loa Loa (eye worm) hypothetical protein 0.0533 0.0436 0.0761
Leishmania major dihydrofolate reductase-thymidylate synthase 0.3943 0.3406 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0533 0.0436 0.0761
Entamoeba histolytica hypothetical protein 0.0036 0.0004 1
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0533 0.0436 0.1281
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0533 0.0436 0.0436
Brugia malayi Pepsin A precursor 0.0533 0.0436 0.0761
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0004 0.0006
Echinococcus multilocularis thymidylate synthase 0.1129 0.0955 0.1666
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0533 0.0436 0.0436
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0533 0.0436 0.1281
Toxoplasma gondii aspartyl protease ASP1 0.0533 0.0436 0.1281
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0533 0.0436 0.0761
Entamoeba histolytica hypothetical protein 0.0036 0.0004 1
Echinococcus multilocularis dihydrofolate reductase 0.6615 0.5733 1
Plasmodium falciparum plasmepsin V 0.0533 0.0436 0.1281
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0004 0.0006
Brugia malayi Dihydrofolate reductase 0.6615 0.5733 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1129 0.0955 0.0955
Brugia malayi hypothetical protein 0.0036 0.0004 0.0006
Toxoplasma gondii aspartyl protease 0.0533 0.0436 0.1281
Onchocerca volvulus 0.1129 0.0955 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0533 0.0436 0.0436
Plasmodium falciparum plasmepsin IX 0.0533 0.0436 0.1281
Plasmodium vivax aspartyl proteinase, putative 0.0533 0.0436 0.1281
Plasmodium falciparum plasmepsin II 0.0533 0.0436 0.1281
Schistosoma mansoni dihydrofolate reductase 0.6615 0.5733 0.5733
Plasmodium falciparum plasmepsin VII 0.0533 0.0436 0.1281
Plasmodium falciparum plasmepsin VI 0.0533 0.0436 0.1281
Brugia malayi Eukaryotic aspartyl protease family protein 0.0533 0.0436 0.0761
Plasmodium vivax aspartyl protease, putative 0.0533 0.0436 0.1281
Plasmodium vivax plasmepsin IV, putative 0.0533 0.0436 0.1281
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.3943 0.3406 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0533 0.0436 0.9919
Schistosoma mansoni cathepsin D (A01 family) 0.0533 0.0436 0.0436
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0537 0.044 0.1291
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0533 0.0436 0.0436
Schistosoma mansoni cathepsin D (A01 family) 0.0533 0.0436 0.0436
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.3943 0.3406 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0533 0.0436 0.0761
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.3943 0.3406 1
Entamoeba histolytica hypothetical protein 0.0036 0.0004 1
Brugia malayi aspartic protease BmAsp-1, identical 0.0533 0.0436 0.0761
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0004 0.0004
Brugia malayi thymidylate synthase 0.1129 0.0955 0.1666
Brugia malayi aspartic protease BmAsp-2, identical 0.0533 0.0436 0.0761
Plasmodium vivax aspartyl protease, putative 0.0533 0.0436 0.1281
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1129 0.0955 0.0974
Trichomonas vaginalis conserved hypothetical protein 0.0537 0.044 1
Echinococcus granulosus dihydrofolate reductase 0.6615 0.5733 1
Loa Loa (eye worm) hypothetical protein 0.0533 0.0436 0.0761
Brugia malayi hypothetical protein 0.0533 0.0436 0.0761
Loa Loa (eye worm) thymidylate synthase 0.1129 0.0955 0.1666
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0533 0.0436 0.0436
Plasmodium vivax aspartyl proteinase, putative 0.0533 0.0436 0.1281
Toxoplasma gondii aspartyl protease ASP3 0.0533 0.0436 0.1281
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.6615 0.5733 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0533 0.0436 0.0436
Plasmodium falciparum plasmepsin III 0.0533 0.0436 0.1281
Loa Loa (eye worm) dihydrofolate reductase 0.6615 0.5733 1
Brugia malayi dihydrofolate reductase family protein 0.6615 0.5733 1
Chlamydia trachomatis dihydrofolate reductase 0.6615 0.5733 0.5
Echinococcus granulosus thymidylate synthase 0.1129 0.0955 0.1666
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0533 0.0436 0.0436
Loa Loa (eye worm) aspartyl protease 6 0.0533 0.0436 0.0761
Plasmodium falciparum plasmepsin VIII, putative 0.0533 0.0436 0.1281
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0533 0.0436 0.0436
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0533 0.0436 0.0761
Loa Loa (eye worm) hypothetical protein 0.0533 0.0436 0.0761
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.3943 0.3406 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.6615 0.5733 1

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 7 mm Antibacterial activity against Escherichia coli at 10 mg/ml by cup-plate technique 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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