Detailed information for compound 1258473

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.319 | Formula: C18H13FN4O3
  • H donors: 3 H acceptors: 3 LogP: 1.97 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CNC(=O)c1nc2[nH]c3c(n2c(=O)c1O)cccc3
  • InChi: 1S/C18H13FN4O3/c19-11-7-5-10(6-8-11)9-20-16(25)14-15(24)17(26)23-13-4-2-1-3-12(13)21-18(23)22-14/h1-8,24H,9H2,(H,20,25)(H,21,22)
  • InChiKey: PWLVUDBJYDFOJT-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
Loa Loa (eye worm) hypothetical protein 0.007 0.5825 0.5825
Entamoeba histolytica hypothetical protein 0.0036 0.1459 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.2993 0.3389
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0979 0.0979
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.6923 0.5
Leishmania major DNA polymerase eta, putative 0.0047 0.2862 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.2993 0.2993
Entamoeba histolytica hypothetical protein 0.0036 0.1459 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.029 0.0419
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.3436 0.4135
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.2993 0.3389
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.3436 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.6923 0.6923
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.5825 0.5825
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.2993 0.3389
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.1061 0.3707
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.6923 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0979 0.0979
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.2862 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1459 0.0808
Brugia malayi Probable ClpP-like protease 0.0079 0.6923 0.6923
Brugia malayi hypothetical protein 0.0036 0.1459 0.1459
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.6923 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.1459 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.2993 0.3389
Toxoplasma gondii hypothetical protein 0.0027 0.029 0.0419
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.2993 0.2993
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.3436 0.4135
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.6923 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.6923 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.3436 0.5
Echinococcus granulosus dna polymerase eta 0.0047 0.2862 0.3168
Entamoeba histolytica hypothetical protein 0.0036 0.1459 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.029 0.0419
Schistosoma mansoni hypothetical protein 0.0036 0.1459 0.0808
Leishmania major DNA polymerase eta, putative 0.0033 0.1061 0.3707
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.2993 0.3389
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.6923 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.6923 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.2862 0.2862
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.2993 0.3389
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.6923 1
Schistosoma mansoni DNA polymerase eta 0.0047 0.2862 0.3168
Schistosoma mansoni hypothetical protein 0.007 0.5825 0.8152
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1459 0.0808
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.6923 0.5
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.1061 0.1533
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.6923 1
Echinococcus multilocularis dna polymerase eta 0.0047 0.2862 0.3168
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1459 0.0808
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.2862 0.2862
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.6923 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0979 0.0979
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.6923 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.6923 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.6923 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.2993 0.3389
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.3436 0.4744
Loa Loa (eye worm) hypothetical protein 0.0103 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0979 0.0979
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.2862 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of HIV1 integrase 3'-strand transfer ChEMBL. 20727748

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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