Detailed information for compound 37378

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.837 | Formula: C22H18ClNO2
  • H donors: 2 H acceptors: 2 LogP: 5.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)c1n(Cc2ccc(cc2)Cl)c2c(c1C)cc(cc2)O
  • InChi: 1S/C22H18ClNO2/c1-14-20-12-19(26)10-11-21(20)24(13-15-2-6-17(23)7-3-15)22(14)16-4-8-18(25)9-5-16/h2-12,25-26H,13H2,1H3
  • InChiKey: QGVFEHIFVPHEPK-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
Echinococcus multilocularis thymidine kinase 0.0492 0.5836 0.5833
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0085 1
Echinococcus granulosus dna polymerase eta 0.002 0.0085 0.0135
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0085 0.3875
Giardia lamblia DINP protein human, muc B family 0.002 0.0085 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0085 1
Echinococcus granulosus lamin dm0 0.0028 0.0181 0.03
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0085 1
Onchocerca volvulus 0.0028 0.0181 0.5
Echinococcus multilocularis musashi 0.0028 0.0181 0.0175
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0085 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0085 0.0011
Onchocerca volvulus 0.0028 0.0181 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0085 0.3875
Echinococcus multilocularis lamin 0.0028 0.0181 0.0175
Echinococcus granulosus lamin 0.0028 0.0181 0.03
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0085 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0079 0.5
Echinococcus granulosus dna polymerase kappa 0.002 0.0085 0.0135
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0085 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0085 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0085 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0085 1
Echinococcus granulosus thymidine kinase 0.0492 0.5836 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0085 1
Echinococcus multilocularis dna polymerase eta 0.002 0.0085 0.0079
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0079 0.3482
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0085 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0079 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0085 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0181 0.03
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0085 0.0135
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0085 0.0079
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0079 0.0073
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0079 0.5
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0085 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0085 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0181 0.0178
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0079 0.4351
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0492 0.5836 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0085 0.0011
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0085 1
Echinococcus multilocularis lamin dm0 0.0028 0.0181 0.0175
Echinococcus granulosus thymidine kinase 0.0492 0.5836 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0085 1
Brugia malayi intermediate filament protein 0.0028 0.0181 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0085 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0181 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0181 1
Schistosoma mansoni DNA polymerase eta 0.002 0.0085 0.0011
Trypanosoma brucei unspecified product 0.002 0.0085 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0085 0.4691
Leishmania major DNA polymerase eta, putative 0.002 0.0085 1
Schistosoma mansoni thymidine kinase 0.0492 0.5836 1
Leishmania major DNA polymerase kappa, putative 0.002 0.0085 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0079 0.5
Echinococcus multilocularis thymidine kinase 0.0492 0.5836 0.5833
Loa Loa (eye worm) hypothetical protein 0.0027 0.0175 0.9658
Loa Loa (eye worm) hypothetical protein 0.002 0.0085 0.4691
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0085 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0085 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0079 0.9179
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0085 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0024 0.1333
Echinococcus multilocularis dna polymerase kappa 0.002 0.0085 0.0079
Toxoplasma gondii exonuclease III APE 0.0019 0.0079 0.5
Schistosoma mansoni lamin 0.0028 0.0181 0.0178
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0342
Schistosoma mansoni lamin 0.0028 0.0181 0.0178
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0181 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0085 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0085 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0085 1
Echinococcus multilocularis transfer RNA-Ile 0.0492 0.5836 0.5833
Loa Loa (eye worm) hypothetical protein 0.0028 0.0181 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0085 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0085 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0079 0.0124
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0085 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0085 1

Activities

Activity type Activity value Assay description Source Reference
RBA (binding) = 8 Relative binding affinity for the calf uterine estrogen receptor by 17-beta-[3H]-estradiol displacement. ChEMBL. 3806590

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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