Detailed information for compound 1124326

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.38 | Formula: C21H18N2O
  • H donors: 2 H acceptors: 1 LogP: 4.15 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccccc1Nc1ccc2c(c1)Cc1ccccc1C(=O)C2
  • InChi: 1S/C21H18N2O/c22-19-7-3-4-8-20(19)23-17-10-9-14-13-21(24)18-6-2-1-5-15(18)11-16(14)12-17/h1-10,12,23H,11,13,22H2
  • InChiKey: VPUYZOKLYXEYPV-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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.1313 0.5
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0004 0.0028 0.0035
Onchocerca volvulus 0.0027 0.2028 0.9416
Echinococcus multilocularis lamin dm0 0.0027 0.2028 0.2516
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0004 0.0028 0.0035
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.1313 0.163
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.1313 1
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0004 0.0028 0.0214
Brugia malayi MH1 domain containing protein 0.0008 0.0372 0.0372
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0004 0.0028 0.0028
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0004 0.0028 0.0035
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.8057 0.8057
Loa Loa (eye worm) intermediate filament protein 0.0027 0.2028 0.2028
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0004 0.0028 0.0035
Onchocerca volvulus 0.0028 0.2153 1
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0932 0.0932
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0231 0.1758
Loa Loa (eye worm) TAR-binding protein 0.0063 0.5211 0.5211
Echinococcus granulosus intermediate filament protein 0.0027 0.2028 0.2516
Schistosoma mansoni GTP-binding protein alpha subunit 0.0004 0.0028 0.0035
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.1313 0.1313
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.8057 1
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0004 0.0028 0.0035
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.0028 0.0035
Schistosoma mansoni GTP-binding protein alpha subunit 0.0004 0.0028 0.0035
Loa Loa (eye worm) hypothetical protein 0.0004 0.0057 0.0057
Brugia malayi G-protein alpha subunit 0.0004 0.0028 0.0028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.8057 1
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0004 0.0028 0.0035
Loa Loa (eye worm) hypothetical protein 0.0013 0.0807 0.0807
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0932 0.0932
Schistosoma mansoni tar DNA-binding protein 0.0063 0.5211 0.6467
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0004 0.0028 0.0035
Onchocerca volvulus 0.0027 0.2028 0.9416
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0231 0.1758
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0004 0.0028 0.0028
Schistosoma mansoni Smad4 0.0008 0.0372 0.0461
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.1313 1
Loa Loa (eye worm) hypothetical protein 0.0004 0.0028 0.0028
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.1313 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0372 0.0461
Echinococcus granulosus tar DNA binding protein 0.0063 0.5211 0.6467
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.0028 0.0035
Echinococcus multilocularis smad 0.0008 0.0372 0.0461
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1313 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0437 0.0542
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0004 0.0028 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0231 0.1758
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0372 0.0461
Schistosoma mansoni cpg binding protein 0.003 0.2295 0.2848
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0427 0.0427
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0231 0.1758
Echinococcus multilocularis musashi 0.0027 0.2028 0.2516
Schistosoma mansoni lamin 0.0027 0.2028 0.2516
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0004 0.0028 0.0028
Brugia malayi MH2 domain containing protein 0.0008 0.0372 0.0372
Loa Loa (eye worm) nuclear factor I 0.0004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0027 0.2028 0.2028
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.2028 0.2028
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0028 0.0214
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0231 0.1758
Onchocerca volvulus 0.0004 0.0028 0.0131
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0285 0.0354
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0372 0.0461
Onchocerca volvulus 0.0004 0.0028 0.0131
Brugia malayi intermediate filament protein 0.0027 0.2028 0.2028
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0231 0.1758
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0004 0.0028 0.0028
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0372 0.0461
Onchocerca volvulus 0.0004 0.0028 0.0131
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.8057 0.8057
Echinococcus granulosus smad 0.0008 0.0372 0.0461
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.1313 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.4377 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0372 0.0461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.8057 1
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0004 0.0028 0.0028
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.2028 0.2028
Loa Loa (eye worm) hypothetical protein 0.0026 0.1984 0.1984
Schistosoma mansoni cpg binding protein 0.003 0.2295 0.2848
Echinococcus granulosus cpg binding protein 0.003 0.2295 0.2848
Schistosoma mansoni ap endonuclease 0.0019 0.1313 0.163
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0004 0.0028 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0231 0.1758
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0231 0.1758
Brugia malayi TAR-binding protein 0.0063 0.5211 0.5211
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0004 0.0028 0.0028
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0004 0.0028 0.0214
Schistosoma mansoni cpg binding protein 0.0028 0.2153 0.2673
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0004 0.0028 0.0035
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0004 0.0028 0.0028
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0437 0.0542
Echinococcus granulosus expressed protein 0.0004 0.0028 0.0035
Loa Loa (eye worm) hypothetical protein 0.0012 0.0763 0.0763
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.1313 0.1313
Loa Loa (eye worm) hypothetical protein 0.0004 0.0028 0.0028
Echinococcus multilocularis tar DNA binding protein 0.0063 0.5211 0.6467
Schistosoma mansoni smad1 5 8 and 0.0008 0.0372 0.0461
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1313 1
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0004 0.0028 0.0035
Loa Loa (eye worm) RNA binding protein 0.0063 0.5211 0.5211
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.8057 1
Echinococcus multilocularis lamin 0.0027 0.2028 0.2516
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.1313 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0028 0.0214
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0231 0.1758
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0024 0.003
Brugia malayi CXXC zinc finger family protein 0.0028 0.2153 0.2153
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0231 0.1758
Toxoplasma gondii exonuclease III APE 0.0019 0.1313 0.3001
Schistosoma mansoni smad 0.0008 0.0372 0.0461
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0437 0.0437
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0231 0.1758
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0807 0.1001
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0285 0.0354
Schistosoma mansoni tar DNA-binding protein 0.0063 0.5211 0.6467
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0004 0.0028 0.0214
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0004 0.0028 0.0028
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0807 0.1001
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.1313 1
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0004 0.0028 0.0028
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0004 0.0028 0.0028
Schistosoma mansoni smad1 5 8 and 0.0008 0.0372 0.0461
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.2153 0.2153
Loa Loa (eye worm) hypothetical protein 0.0004 0.0028 0.0028
Loa Loa (eye worm) G protein alpha subunit 3 0.0004 0.0028 0.0028
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.1313 0.5
Echinococcus granulosus lamin dm0 0.0027 0.2028 0.2516
Loa Loa (eye worm) hypothetical protein 0.0012 0.0763 0.0763
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0028 0.0214
Loa Loa (eye worm) hypothetical protein 0.0004 0.0028 0.0028
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0004 0.0028 0.0028
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0004 0.0028 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0231 0.1758
Schistosoma mansoni intermediate filament proteins 0.0027 0.2028 0.2516
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0231 0.1758
Loa Loa (eye worm) Smad1 0.0008 0.0372 0.0372
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.1313 0.163
Schistosoma mansoni tar DNA-binding protein 0.0063 0.5211 0.6467
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0004 0.0028 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0231 0.1758
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0004 0.0028 0.0028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.8057 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.5211 0.6467
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0285 0.0354
Brugia malayi MH1 domain containing protein 0.0004 0.0057 0.0057
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1313 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0231 0.1758
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0372 0.0372
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0004 0.0028 0.0214
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.1313 1
Brugia malayi hypothetical protein 0.0004 0.0028 0.0028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.8057 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.5211 0.5211
Echinococcus granulosus lamin 0.0027 0.2028 0.2516
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0372 0.0461
Brugia malayi MH1 domain containing protein 0.0008 0.0372 0.0372
Schistosoma mansoni ap endonuclease 0.0019 0.1313 0.163
Trichomonas vaginalis helicase, putative 0.0006 0.0231 0.1758
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.8057 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0004 0.0028 0.0035
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0231 0.1758
Loa Loa (eye worm) hypothetical protein 0.0004 0.0028 0.0028
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0231 0.1758
Brugia malayi Smad1 0.0008 0.0372 0.0372
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0004 0.0028 0.0214
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0004 0.0028 0.0035
Brugia malayi MH2 domain containing protein 0.0008 0.0372 0.0372
Echinococcus granulosus Smad4 0.0008 0.0372 0.0461
Echinococcus multilocularis expressed protein 0.0004 0.0028 0.0035
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0004 0.0028 0.0035
Brugia malayi RNA binding protein 0.0063 0.5211 0.5211
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0004 0.0028 0.0035
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.5211 0.5211
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0372 0.0372
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0004 0.0028 0.0035
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0285 0.0354
Echinococcus multilocularis Smad4 0.0008 0.0372 0.0461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.1313 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.494 0.6131
Echinococcus multilocularis cpg binding protein 0.003 0.2295 0.2848
Schistosoma mansoni tar DNA-binding protein 0.0063 0.5211 0.6467
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0285 0.0354
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0004 0.0028 0.0035
Schistosoma mansoni lamin 0.0027 0.2028 0.2516
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0004 0.0028 0.0028
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1313 1
Entamoeba histolytica G protein alpha subunit, putative 0.0004 0.0028 0.0214
Brugia malayi MH1 domain containing protein 0.0004 0.0057 0.0057

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of TRKB at 10 uM ChEMBL. 20418099
Inhibition (binding) Inhibition of CK2alpha1 at 10 uM ChEMBL. 20418099
Inhibition (binding) Inhibition of Aurora B at 10 uM ChEMBL. 20418099
Inhibition (binding) Inhibition of PLK1 at 10 uM ChEMBL. 20418099
Inhibition (binding) Inhibition of SRC at 10 uM ChEMBL. 20418099
Inhibition (binding) Inhibition of PRK1 at 10 uM ChEMBL. 20418099
Inhibition (binding) Inhibition of SAK at 10 uM ChEMBL. 20418099
Inhibition (binding) Inhibition of AKT1 at 10 uM ChEMBL. 20418099
Inhibition (binding) Inhibition of AXL at 10 uM ChEMBL. 20418099
Inhibition (binding) Inhibition of ARK5 at 10 uM ChEMBL. 20418099

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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