Detailed information for compound 1460069

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 286.326 | Formula: C16H18N2O3
  • H donors: 2 H acceptors: 3 LogP: 2.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3
  • InChi: 1S/C16H18N2O3/c1-2-8-17-15(20)12-14(19)11-7-3-5-10-6-4-9-18(13(10)11)16(12)21/h3,5,7,19H,2,4,6,8-9H2,1H3,(H,17,20)
  • InChiKey: FIIVHHIQKMMUBG-UHFFFAOYSA-N  

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 TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461

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
Schistosoma mansoni tar DNA-binding protein 0.0076 0.9347 0.9347
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0524 0.0524
Loa Loa (eye worm) hypothetical protein 0.0082 1 1
Brugia malayi hypothetical protein 0.0082 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.2356 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.2356 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0082 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0425 0.1806
Loa Loa (eye worm) trypsin family protein 0.0082 1 1
Onchocerca volvulus 0.0082 1 1
Echinococcus multilocularis Mastin 0.0082 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0425 0.1806
Echinococcus granulosus cpg binding protein 0.0037 0.4169 0.4169
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0425 0.1806
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0082 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2356 1
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0082 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0524 0.0524
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0082 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.2356 0.5
Onchocerca volvulus 0.0082 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0082 1 1
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0082 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.2356 1
Onchocerca volvulus 0.0082 1 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0524 0.0524
Echinococcus multilocularis glycoprotein Antigen 5 0.0082 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.9347 0.9347
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0799 0.0799
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0524 0.0524
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2356 1
Echinococcus granulosus Mastin 0.0082 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0425 0.1806
Onchocerca volvulus 0.0082 1 1
Echinococcus granulosus enteropeptidase 0.0082 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2356 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0425 0.1806
Echinococcus multilocularis tar DNA binding protein 0.0076 0.9347 0.9347
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2356 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.2356 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0425 0.1806
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0082 1 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0082 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.2356 0.2356
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0425 0.1806
Loa Loa (eye worm) TAR-binding protein 0.0076 0.9347 0.9347
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.2356 0.2356
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0425 0.1806
Brugia malayi Trypsin-like protease protein 5 0.0082 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0082 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.9347 0.9347
Trichomonas vaginalis helicase, putative 0.0008 0.0425 0.1806
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.2356 1
Loa Loa (eye worm) hypothetical protein 0.0082 1 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0082 1 1
Brugia malayi Trypsin family protein 0.0082 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0425 0.1806
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.2356 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Echinococcus multilocularis enteropeptidase 0.0082 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0524 0.0524
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0425 0.1806
Schistosoma mansoni tar DNA-binding protein 0.0076 0.9347 0.9347
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.2356 1
Toxoplasma gondii exonuclease III APE 0.0023 0.2356 0.2966
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0425 0.1806
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Onchocerca volvulus 0.0082 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0082 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.2356 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0781 0.0781
Schistosoma mansoni tar DNA-binding protein 0.0076 0.9347 0.9347
Brugia malayi Trypsin family protein 0.0082 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0425 0.1806
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0082 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0425 0.1806
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0799 0.0799
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0425 0.1806
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.2356 0.2356
Loa Loa (eye worm) hypothetical protein 0.0082 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.9347 0.9347
Schistosoma mansoni ap endonuclease 0.0023 0.2356 0.2356
Echinococcus multilocularis transmembrane protease serine 3 0.0082 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Onchocerca volvulus 0.0035 0.3912 0.3912
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.3912 0.3912
Schistosoma mansoni tar DNA-binding protein 0.0076 0.9347 0.9347
Schistosoma mansoni cpg binding protein 0.0035 0.3912 0.3912
Echinococcus granulosus glycoprotein Antigen 5 0.0082 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 1 1
Echinococcus granulosus transmembrane protease serine 3 0.0082 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.4169 0.4169
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0425 0.1806
Brugia malayi CXXC zinc finger family protein 0.0035 0.3912 0.3912
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0082 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0425 0.1806
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.2356 0.2356
Onchocerca volvulus 0.0082 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0051 0.0051
Echinococcus multilocularis cpg binding protein 0.0037 0.4169 0.4169
Mycobacterium ulcerans hypothetical protein 0.0082 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.2356 0.2356
Loa Loa (eye worm) hypothetical protein 0.0082 1 1
Schistosoma mansoni hypothetical protein 0.0082 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.7945 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0425 0.1806
Loa Loa (eye worm) hypothetical protein 0.0082 1 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0799 0.0799
Brugia malayi RNA binding protein 0.0076 0.9347 0.9347
Brugia malayi TAR-binding protein 0.0076 0.9347 0.9347
Schistosoma mansoni tar DNA-binding protein 0.0076 0.9347 0.9347
Brugia malayi Trypsin family protein 0.0082 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0082 1 1
Schistosoma mansoni hypothetical protein 0.0082 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0082 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.4169 0.4169
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.8966 0.8966

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1062 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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