Detailed information for compound 1102530

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 284.333 | Formula: C15H12N2O2S
  • H donors: 1 H acceptors: 0 LogP: 3.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=c1[nH]nc(o1)c1ccc(cc1)OCc1ccccc1
  • InChi: 1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,20)
  • InChiKey: DNJPRYZTAXMJSZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Agaricus bisporus Tyrosinase Starlite/ChEMBL References

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
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.1641 0.1497
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0681 0.5
Echinococcus granulosus intermediate filament protein 0.0031 0.1641 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.1641 0.1641
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0681 0.5
Schistosoma mansoni lamin 0.0031 0.1641 0.103
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0681 0.0521
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0681 0.5
Schistosoma mansoni tyrosinase precursor 0.0111 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0681 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0681 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0168 0.0168
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0681 0.5
Schistosoma mansoni lamin 0.0031 0.1641 0.103
Echinococcus granulosus lamin 0.0031 0.1641 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 1 1
Onchocerca volvulus 0.0111 1 1
Echinococcus multilocularis lamin 0.0031 0.1641 1
Onchocerca volvulus 0.0111 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0681 0.5
Onchocerca volvulus 0.0111 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 1 1
Loa Loa (eye worm) hypothetical protein 0.0111 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0681 0.4151
Schistosoma mansoni intermediate filament proteins 0.0031 0.1641 0.103
Loa Loa (eye worm) ShTK domain-containing protein 0.0111 1 1
Loa Loa (eye worm) tyrosinase 1 0.0111 1 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0111 1 1
Schistosoma mansoni tyrosinase precursor 0.0111 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1583 0.1583
Brugia malayi Common central domain of tyrosinase family protein 0.0111 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0681 0.5
Loa Loa (eye worm) hypothetical protein 0.0111 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0681 0.5
Echinococcus granulosus lamin dm0 0.0031 0.1641 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0681 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.1641 0.1641
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0681 0.5
Echinococcus multilocularis lamin dm0 0.0031 0.1641 1
Brugia malayi intermediate filament protein 0.0031 0.1641 0.1497
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0681 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0681 0.5
Onchocerca volvulus 0.0111 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0681 0.5
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0111 1 1
Toxoplasma gondii exonuclease III APE 0.0021 0.0681 0.5
Echinococcus multilocularis musashi 0.0031 0.1641 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0681 0.0681
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0681 0.4151
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.1641 0.1641

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 628 uM Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry ChEMBL. 19822431
Ki (binding) = 1.35 uM Inhibition of mashroom tyrosinase ChEMBL. 20452224
Ki (binding) = 850 uM Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis ChEMBL. 19822431

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.