Detailed information for compound 1138413

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 195.217 | Formula: C13H9NO
  • H donors: 1 H acceptors: 1 LogP: 2.85 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1ccc2c(c1)[nH]c1c2cccc1
  • InChi: 1S/C13H9NO/c15-8-9-5-6-11-10-3-1-2-4-12(10)14-13(11)7-9/h1-8,14H
  • InChiKey: LCENSQOWDHIKAN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinesin family member 11 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica kinesin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium hominis kinesin-like boursin Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus granulosus kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Loa Loa (eye worm) kinesin-like protein KLP2 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium falciparum kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium vivax kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Giardia lamblia Kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma mansoni kinesin eg-5 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium yoelii Kinesin motor domain, putative Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma japonicum ko:K10398 kinesin family member 11, putative Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium parvum kinesin-like boursin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus multilocularis kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium knowlesi kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Neospora caninum hypothetical protein Get druggable targets OG5_128460 All targets in OG5_128460
Toxoplasma gondii kinesin motor domain-containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Brugia malayi Kinesin motor domain containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium berghei kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
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 hyperpolarization activated cyclic 0.0008 0.0112 0.0112
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0588 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1065 0.1215
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0112 0.0129
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0588 1
Plasmodium vivax kinesin-5 0.0032 0.1097 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0588 0.0591
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.1065 0.1071
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.1627 0.1887
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.1097 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0112 0.0129
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.1471 0.1679
Brugia malayi Pre-SET motif family protein 0.0031 0.1065 0.1215
Schistosoma mansoni ap endonuclease 0.002 0.0588 0.0682
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0112 0.0129
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0112 0.0127
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.1097 0.1252
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0588 1
Echinococcus granulosus kinesin family 1 0.0247 0.9942 1
Schistosoma mansoni 60S ribosomal protein L21 0.0007 0.0043 0.005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.1065 0.1235
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.1065 0.1071
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0588 0.536
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0008 0.0112 0.0112
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0112 0.0112
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0267 0.0305
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.1065 0.1071
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0112 0.0112
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0267 0.0269
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0588 0.0591
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.1017 0.1023
Mycobacterium leprae Conserved hypothetical protein 0.0005 0 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0588 0.536
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.8759 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0008 0.0112 0.0112
Entamoeba histolytica kinesin, putative 0.0032 0.1097 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.1065 0.9706
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0588 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.1247 0.1424
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.1471 0.1679
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0112 0.0129
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.1627 0.1887
Toxoplasma gondii exonuclease III APE 0.002 0.0588 0.536
Echinococcus multilocularis kinesin family 1 0.0247 0.9942 1
Brugia malayi Pre-SET motif family protein 0.0219 0.8759 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0267 0.0269
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.1065 0.1235
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0267 0.031
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0112 0.0112
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0043 0.005
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.1471 0.1479
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.1359 0.1359
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.1065 0.1235
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0008 0.0112 0.0112
Onchocerca volvulus 0.0031 0.1065 0.1065
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0112 0.0112
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0588 0.0671
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0112 0.0112
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0112 0.0112
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0588 0.0588
Plasmodium vivax SET domain protein, putative 0.0031 0.1065 0.9706
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0112 0.0127
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0588 0.0671
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0112 0.0112
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0588 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0112 0.0129
Brugia malayi Kinesin motor domain containing protein 0.0032 0.1097 0.1252
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.1065 0.1235
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0588 0.536
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0112 0.0129
Giardia lamblia Kinesin-5 0.0032 0.1097 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0267 0.0269
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0588 1
Trichomonas vaginalis set domain proteins, putative 0.0249 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.1471 0.1479
Plasmodium falciparum kinesin-5 0.0032 0.1097 1
Schistosoma mansoni ap endonuclease 0.002 0.0588 0.0682
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0008 0.0112 0.0112
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0588 1
Schistosoma mansoni kinesin eg-5 0.0032 0.1097 0.1272
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0112 0.0127
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0267 0.0269
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0267 0.031
Loa Loa (eye worm) hypothetical protein 0.0012 0.0267 0.0305
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0588 0.0588
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.1359 0.1359
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0008 0.0112 0.0112
Brugia malayi Cyclic-nucleotide gated cation channel 0.0008 0.0112 0.0127
Schistosoma mansoni hypothetical protein 0.0215 0.8621 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13 uM Inhibition of human C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 30 mins by luciferase-derived luminescence assay ChEMBL. 20521839
Inhibition (functional) < 50 % Cytotoxicity against human HeLa cells at 60 uM after 48 hrs by MTT assay ChEMBL. 20521839

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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