Detailed information for compound 1185103

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 262.263 | Formula: C16H10N2O2
  • H donors: 0 H acceptors: 3 LogP: 3.41 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1c2ncccc2C(=O)c2c1n1ccccc1c2C
  • InChi: 1S/C16H10N2O2/c1-9-11-6-2-3-8-18(11)14-12(9)15(19)10-5-4-7-17-13(10)16(14)20/h2-8H,1H3
  • InChiKey: ZKZVKOHKFKSGFF-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
Brugia malayi photoreceptor-specific nuclear receptor 0.0009 0.0007 0.0029
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0708 0.2828
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0131 0.0015
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0131 0.0124
Echinococcus granulosus intermediate filament protein 0.0038 0.0373 0.0431
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0131 0.0146
Brugia malayi Muscleblind-like protein 0.0118 0.1394 0.5604
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0265 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0009 0.0007 0.0029
Loa Loa (eye worm) hypothetical protein 0.0038 0.0373 0.1476
Toxoplasma gondii exonuclease III APE 0.0018 0.0127 0.2003
Entamoeba histolytica hypothetical protein 0.0028 0.0254 0.2186
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0127 0.012
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0131 0.1136
Echinococcus granulosus dna polymerase eta 0.0019 0.0131 0.0146
Echinococcus granulosus dna polymerase kappa 0.0019 0.0131 0.0146
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0265 0.0304
Schistosoma mansoni kinesin eg-5 0.004 0.04 0.0463
Loa Loa (eye worm) hypothetical protein 0.0013 0.0059 0.0209
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0007 0.0029
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0024 0.0194 0.078
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0009 0.0007 0.0029
Brugia malayi cytoplasmic intermediate filament protein 0.002 0.015 0.0604
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0127 0.1053
Schistosoma mansoni transcription factor LCR-F1 0.0028 0.0254 0.0291
Trypanosoma brucei unspecified product 0.0019 0.0131 0.1136
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0127 0.0142
Loa Loa (eye worm) kinesin-like protein KLP2 0.004 0.04 0.1586
Entamoeba histolytica hypothetical protein 0.0028 0.0254 0.2186
Loa Loa (eye worm) intermediate filament protein 0.0038 0.0373 0.1476
Brugia malayi Pre-SET motif family protein 0.0029 0.0265 0.1065
Onchocerca volvulus 0.0038 0.0373 0.129
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0127 0.1053
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.1136
Loa Loa (eye worm) transcription factor SMAD2 0.0062 0.0679 0.271
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0127 0.5
Brugia malayi hypothetical protein 0.0028 0.0254 0.1023
Brugia malayi intermediate filament protein 0.0038 0.0373 0.1501
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0009 0.0007 0.0029
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0127 0.2003
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0131 0.0501
Schistosoma mansoni hypothetical protein 0.0451 0.5645 0.6642
Echinococcus multilocularis muscleblind protein 0.0118 0.1394 0.1388
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0131 0.1115
Giardia lamblia DINP protein human, muc B family 0.0019 0.0131 0.0147
Plasmodium falciparum kinesin-5 0.004 0.04 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0007 0.0029
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0131 0.0069
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2487 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0009 0.0007 0.0029
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0024 0.0194 0.0187
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0131 0.1136
Brugia malayi ecdysteroid receptor 0.0009 0.0007 0.0029
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0708 0.0826
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0127 0.5
Entamoeba histolytica hypothetical protein 0.0028 0.0254 0.2186
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0024 0.0194 0.022
Echinococcus granulosus lamin 0.0038 0.0373 0.0431
Echinococcus multilocularis dna polymerase eta 0.0019 0.0131 0.0124
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0131 0.1136
Entamoeba histolytica kinesin, putative 0.004 0.04 0.47
Loa Loa (eye worm) hypothetical protein 0.0018 0.0125 0.0474
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0127 0.0484
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.1136
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0127 0.1075
Onchocerca volvulus 0.0231 0.2845 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0131 0.0146
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.1136
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0131 0.1115
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0038 0.0373 0.1476
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0007 0.0029
Schistosoma mansoni ap endonuclease 0.0018 0.0127 0.0142
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0028 0.0254 0.0291
Leishmania major DNA polymerase kappa, putative 0.0019 0.0131 0.1115
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0127 0.2003
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0365 0.0422
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0024 0.0194 0.022
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.002 0.015 0.0577
Trichomonas vaginalis set domain proteins, putative 0.0231 0.2845 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0007 0.0029
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0028 0.0254 0.0247
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.1136
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0131 0.1115
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0131 0.1115
Brugia malayi Pre-SET motif family protein 0.0203 0.2487 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0708 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.1136
Loa Loa (eye worm) MH2 domain-containing protein 0.0062 0.0679 0.271
Echinococcus multilocularis muscleblind protein 1 0.0118 0.1394 0.1388
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0007 0.0029
Echinococcus multilocularis kinesin family 1 0.0306 0.38 0.3795
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.1136
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.1136
Schistosoma mansoni DNA polymerase eta 0.0019 0.0131 0.0146
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0131 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0018 0.0125 0.0139
Schistosoma mansoni hypothetical protein 0.0451 0.5645 0.6642
Brugia malayi steroid hormone receptor 0.0009 0.0007 0.0029
Plasmodium vivax SET domain protein, putative 0.0029 0.0265 0.6034
Echinococcus granulosus kinesin family 1 0.0306 0.38 0.4469
Echinococcus granulosus microtubule associated protein 2 0.0674 0.8494 1
Schistosoma mansoni lamin 0.0038 0.0373 0.0431
Schistosoma mansoni microtubule-associated protein tau 0.0674 0.8494 1
Brugia malayi Kinesin motor domain containing protein 0.004 0.04 0.161
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0708 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0024 0.0194 0.022
Brugia malayi MH2 domain containing protein 0.0062 0.0679 0.2731
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0009 0.0007 0.0029
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0024 0.0194 0.0754
Loa Loa (eye worm) hypothetical protein 0.0037 0.0364 0.1441
Trypanosoma brucei PAB1-binding protein , putative 0.0013 0.0059 0.0024
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0131 1
Onchocerca volvulus 0.0029 0.0265 0.0908
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0024 0.0194 0.0187
Echinococcus granulosus geminin 0.0451 0.5645 0.6642
Toxoplasma gondii kinesin motor domain-containing protein 0.004 0.04 1
Schistosoma mansoni lamin 0.0038 0.0373 0.0431
Echinococcus granulosus muscleblind protein 0.0118 0.1394 0.1634
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0007 0.0029
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0708 0.0702
Schistosoma mansoni hypothetical protein 0.0266 0.3292 0.3871
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0131 1
Brugia malayi Intermediate filament tail domain containing protein 0.0038 0.0373 0.1501
Entamoeba histolytica hypothetical protein 0.0028 0.0254 0.2186
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0131 0.0528
Loa Loa (eye worm) hypothetical protein 0.0017 0.0116 0.0439
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0024 0.0194 0.022
Loa Loa (eye worm) hypothetical protein 0.0118 0.1394 0.5591
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.1136
Brugia malayi nuclear receptor NHR-88 0.0009 0.0007 0.0029
Leishmania major DNA polymerase eta, putative 0.0019 0.0131 0.1115
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0131 0.1115
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0708 0.0826
Echinococcus multilocularis lamin dm0 0.0038 0.0373 0.0366
Brugia malayi Steroid receptor seven-up type 2 0.0009 0.0007 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0009 0.0007 0.0029
Echinococcus granulosus lamin dm0 0.0038 0.0373 0.0431
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0265 0.0258
Loa Loa (eye worm) hypothetical protein 0.0029 0.0265 0.104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0265 0.0304
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0131 0.1115
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0009 0.0007 0.0029
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0018 0.0125 0.0118
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0127 0.0512
Echinococcus multilocularis geminin 0.0451 0.5645 0.5641
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0131 0.0528
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0131 0.0015
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0708 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0708 1
Echinococcus multilocularis lamin 0.0038 0.0373 0.0366
Schistosoma mansoni ap endonuclease 0.0018 0.0127 0.0142
Giardia lamblia Kinesin-5 0.004 0.04 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0265 0.0304
Loa Loa (eye worm) hypothetical protein 0.0017 0.0116 0.0439
Echinococcus multilocularis microtubule associated protein 2 0.0674 0.8494 0.8493
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0365 0.0358
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0007 0.0029
Onchocerca volvulus 0.0038 0.0373 0.129
Loa Loa (eye worm) hypothetical protein 0.0118 0.1394 0.5591
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0127 0.1053
Schistosoma mansoni intermediate filament proteins 0.0038 0.0373 0.0431
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0708 0.2849
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0265 0.0304
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0265 0.0304
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0251 0.0288
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0131 0.1136
Echinococcus multilocularis musashi 0.0038 0.0373 0.0366
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0024 0.0194 0.022
Brugia malayi nuclear hormone receptor 0.0009 0.0007 0.0029
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0708 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0131 0.0124
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.1136
Plasmodium vivax kinesin-5 0.004 0.04 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0131 0.0501
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0131 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0131 0.0146
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0131 0.1136
Brugia malayi hypothetical protein 0.0013 0.0059 0.0237
Schistosoma mansoni hypothetical protein 0.0028 0.0254 0.0291
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0265 0.6034

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 12.2 uM Cytotoxicity against human NCI-H460 cells after 2 days by MTT assay ChEMBL. 18296054
IC50 (functional) = 12.46 uM Cytotoxicity against human HL60 cells after 2 days by MTT assay ChEMBL. 18296054
IC50 (functional) > 25 uM Cytotoxicity against human MCF7 cells after 2 days by MTT assay ChEMBL. 18296054

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18296054

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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