Detailed information for compound 1072789

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.478 | Formula: C26H22N4O2
  • H donors: 0 H acceptors: 4 LogP: 4.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCn1ncc(c1c1cc(C)cc(c1)OC)c1ccc(nc1)c1cccc(c1)C(=O)C
  • InChi: 1S/C26H22N4O2/c1-17-11-22(14-23(12-17)32-3)26-24(16-29-30(26)10-9-27)21-7-8-25(28-15-21)20-6-4-5-19(13-20)18(2)31/h4-8,11-16H,10H2,1-3H3
  • InChiKey: JEWCFXUJQAKYEX-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 cadherin EGF LAG seven pass G type receptor 0.0035 0.1244 0.1403
Echinococcus granulosus GA binding protein alpha chain 0.007 0.2957 0.3335
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0666 0.7309
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0894 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0463 0.3713
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0047 0.0053
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.2957 0.3335
Schistosoma mansoni hypothetical protein 0.0035 0.1244 0.1244
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0463 0.0522
Loa Loa (eye worm) hypothetical protein 0.0011 0.0047 0.0047
Trichomonas vaginalis DNA helicase recq, putative 0.0027 0.0828 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0463 0.0463
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0463 0.0522
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0894 1
Brugia malayi Bloom's syndrome protein homolog 0.0027 0.0828 0.0828
Schistosoma mansoni DNA helicase recq5 0.0011 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0135 0.619 0.619
Echinococcus multilocularis GPCR, family 2 0.0035 0.1244 0.1403
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0463 0.4112
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0047 0.0053
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.327 0.327
Echinococcus granulosus bloom syndrome protein 0.0027 0.0828 0.0934
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0463 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0463 0.5
Loa Loa (eye worm) RecQ helicase 0.0027 0.0828 0.0828
Brugia malayi Ets-domain containing protein 0.007 0.2957 0.2957
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.1244 0.1244
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0894 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0463 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.327 0.327
Schistosoma mansoni ap endonuclease 0.002 0.0463 0.0463
Trichomonas vaginalis DNA helicase recq1, putative 0.0027 0.0828 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0463 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0463 0.1327
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0124 0.014
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0894 1
Schistosoma mansoni ap endonuclease 0.002 0.0463 0.0463
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0387 0.4007
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.1244 0.1403
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0047 0.0053
Schistosoma mansoni hypothetical protein 0.0035 0.1244 0.1244
Schistosoma mansoni hypothetical protein 0.0013 0.0124 0.0124
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0463 0.3713
Schistosoma mansoni hypothetical protein 0.0189 0.8866 0.8866
Schistosoma mansoni gabp alpha 0.007 0.2957 0.2957
Brugia malayi hypothetical protein 0.0018 0.0399 0.0399
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0124 0.014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.5015 0.5015
Schistosoma mansoni hypothetical protein 0.0035 0.1244 0.1244
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.1244 0.1403
Toxoplasma gondii exonuclease III APE 0.002 0.0463 0.4911
Loa Loa (eye worm) hypothetical protein 0.0035 0.1244 0.1244
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0463 0.4112
Echinococcus multilocularis geminin 0.0189 0.8866 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0463 0.3713
Brugia malayi Latrophilin receptor protein 2 0.0035 0.1244 0.1244
Echinococcus granulosus GPCR family 2 0.0035 0.1244 0.1403
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.0548 0.0548
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.5015 0.5015
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0894 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.0076 0.327 0.327
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0894 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.2957 0.2957
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0894 1
Schistosoma mansoni hypothetical protein 0.0035 0.1244 0.1244
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.1244 0.1244
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0463 0.3713
Loa Loa (eye worm) hypothetical protein 0.006 0.2456 0.2456
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0047 0.0000000029503
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0463 0.4911
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0047 0.0053
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0463 0.5
Brugia malayi hypothetical protein 0.0028 0.0894 0.0894
Echinococcus multilocularis bloom syndrome protein 0.0027 0.0828 0.0934
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.1244 0.1403
Loa Loa (eye worm) hypothetical protein 0.0112 0.5015 0.5015
Brugia malayi Ets-domain containing protein 0.007 0.2957 0.2957
Loa Loa (eye worm) hypothetical protein 0.0028 0.0894 0.0894
Schistosoma mansoni DNA helicase recq1 0.0011 0.0047 0.0047
Leishmania major hypothetical protein, conserved 0.0028 0.0894 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0463 0.5
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.0189 0.8866 0.8866
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0047 0.0047
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0463 0.0463
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.5015 0.5015
Echinococcus granulosus geminin 0.0189 0.8866 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 30 % Inhibition of ROS1 at 20 uM by HotSpot assay ChEMBL. 19700314

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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