Detailed information for compound 1440535

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 303.318 | Formula: C17H13N5O
  • H donors: 0 H acceptors: 3 LogP: 1.65 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1n(cnc2c1cnn2c1ccccc1)Cc1ccccn1
  • InChi: 1S/C17H13N5O/c23-17-15-10-20-22(14-7-2-1-3-8-14)16(15)19-12-21(17)11-13-6-4-5-9-18-13/h1-10,12H,11H2
  • InChiKey: OTILRNJWMHEKCN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica exodeoxyribonuclease III, 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Neospora caninum hypothetical protein 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Toxoplasma gondii ribonuclease HI protein 0.0564 0.2606 1
Schistosoma mansoni phosphoglucomutase 0.0564 0.2606 0.2587
Trypanosoma brucei SLACS retrotransposable element (part), putative 0.0048 0.0145 0.012
Echinococcus multilocularis lamin dm0 0.0033 0.0072 0.0103
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Brugia malayi RNase H family protein 0.0564 0.2606 1
Brugia malayi intermediate filament protein 0.0033 0.0072 0.0276
Echinococcus granulosus lamin dm0 0.0033 0.0072 0.0182
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0025 0.5
Brugia malayi Zinc knuckle family protein 0.0048 0.0145 0.0558
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0025 0.1961
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0048 0.0145 0.0264
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0048 0.0145 0.0264
Brugia malayi RNase H family protein 0.0564 0.2606 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0072 0.5632
Schistosoma mansoni lamin 0.0033 0.0072 0.0047
Brugia malayi Zinc knuckle family protein 0.0048 0.0145 0.0558
Loa Loa (eye worm) hypothetical protein 0.0032 0.0069 0.541
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Leishmania major ribonuclease H1, putative 0.0564 0.2606 1
Echinococcus granulosus RNA directed DNA polymerase 0.0048 0.0145 0.0466
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0048 0.0145 0.0264
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0048 0.0145 0.0264
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Trichomonas vaginalis reverse transcriptases, putative 0.0048 0.0145 0.0466
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0048 0.0145 0.0466
Trypanosoma brucei ribonuclease H1 0.0564 0.2606 0.2587
Brugia malayi hypothetical protein 0.0048 0.0145 0.0558
Brugia malayi hypothetical protein 0.0048 0.0145 0.0558
Trypanosoma brucei RNA helicase, putative 0.2116 1 1
Schistosoma mansoni hypothetical protein 0.0048 0.0145 0.012
Onchocerca volvulus 0.0048 0.0145 0.0289
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0072 0.5632
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0048 0.0145 0.0466
Treponema pallidum ribonuclease H (rnhA) 0.0564 0.2606 1
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0048 0.0145 0.0264
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0048 0.0145 0.0264
Trypanosoma brucei unspecified product 0.0612 0.2834 0.2816
Echinococcus granulosus ribonuclease H1 0.0564 0.2606 1
Schistosoma mansoni scy1(yeast) protein kinase-like 0.0048 0.0145 0.012
Trypanosoma brucei Endonuclease-reverse transcriptase/Reverse transcriptase (RNA-dependent DNA polymerase), putative 0.0048 0.0145 0.012
Schistosoma mansoni protein kinase 0.0048 0.0145 0.012
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0048 0.0145 0.0466
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0025 0.5
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0048 0.0145 0.0264
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Schistosoma mansoni lamin 0.0033 0.0072 0.0047
Echinococcus granulosus intermediate filament protein 0.0033 0.0072 0.0182
Trypanosoma cruzi ribonuclease H1, putative 0.0564 0.2606 1
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0048 0.0145 0.0466
Echinococcus multilocularis lamin 0.0033 0.0072 0.0103
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0072 0.0276
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0048 0.0145 0.0466
Trichomonas vaginalis reverse transcriptases, putative 0.0048 0.0145 0.0466
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0048 0.0145 0.0264
Brugia malayi reverse transcriptase 0.0048 0.0145 0.0558
Brugia malayi hypothetical protein 0.0048 0.0145 0.0558
Brugia malayi reverse transcriptase 0.0048 0.0145 0.0558
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Echinococcus multilocularis musashi 0.0033 0.0072 0.0103
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Brugia malayi reverse transcriptase 0.0048 0.0145 0.0558
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4582 1
Trypanosoma brucei SLACS reverse transcriptase, putative 0.0048 0.0145 0.012
Schistosoma mansoni intermediate filament proteins 0.0033 0.0072 0.0047
Echinococcus multilocularis ribonuclease H1 0.0564 0.2606 0.5663
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Trichomonas vaginalis reverse transcriptase [C. elegans], putative 0.0048 0.0145 0.0466
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0025 0.0096
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Giardia lamblia Reverse transcriptase/endonuclease 0.0048 0.0145 0.0466
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0025 0.5
Giardia lamblia Ribonuclease H 0.0564 0.2606 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0128 1
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0145 0.0466
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0025 0.5
Trichomonas vaginalis NeSL-1_NeSL reverse transcriptases, putative 0.0048 0.0145 0.0466
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.0145 0.012
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0564 0.2606 1
Trypanosoma brucei ingi protein (ORF1) 0.0612 0.2834 0.2816
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0612 0.2834 0.2816
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Brugia malayi RNase H family protein 0.0564 0.2606 1
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0048 0.0145 0.0264
Brugia malayi hypothetical protein 0.0048 0.0145 0.0558
Trypanosoma cruzi ribonuclease H1, putative 0.0564 0.2606 1
Echinococcus multilocularis RNA directed DNA polymerase 0.0048 0.0145 0.0264
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0048 0.0145 0.0466
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0048 0.0145 0.0264
Loa Loa (eye worm) hypothetical protein 0.0033 0.0072 0.5632
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0048 0.0145 0.0289
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0048 0.0145 0.0466
Echinococcus granulosus KRAB A domain containing protein 0.0048 0.0145 0.0466
Trypanosoma brucei ingi protein (ORF1) 0.0612 0.2834 0.2816
Schistosoma mansoni phosphoglucomutase 0.0564 0.2606 0.2587
Trypanosoma brucei hypothetical protein, conserved 0.0612 0.2834 0.2816
Onchocerca volvulus Ribonuclease H1 homolog 0.0564 0.2606 1
Echinococcus granulosus lamin 0.0033 0.0072 0.0182
Onchocerca volvulus 0.0048 0.0145 0.0289
Schistosoma mansoni phosphoglucomutase 0.0564 0.2606 0.2587
Schistosoma mansoni hypothetical protein 0.0048 0.0145 0.012
Mycobacterium tuberculosis Possible maturase 0.0048 0.0145 1
Brugia malayi Cytochrome P450 family protein 0.0044 0.0128 0.0491
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0048 0.0145 0.0466
Brugia malayi Pao retrotransposon peptidase family protein 0.0048 0.0145 0.0558
Trichomonas vaginalis ribonuclease H1, putative 0.0564 0.2606 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0501 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1042 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) 18.3564 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.