Detailed information for compound 1379373

Basic information

Technical information
  • TDR Targets ID: 1379373
  • Name: T0504-3912
  • MW: 187.198 | Formula: C10H9N3O
  • H donors: 0 H acceptors: 2 LogP: 0.2 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1nc2CCCn2c2c1cccn2
  • InChi: 1S/C10H9N3O/c14-10-7-3-1-5-11-9(7)13-6-2-4-8(13)12-10/h1,3,5H,2,4,6H2
  • InChiKey: PAQBMXVPXRLAPE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000055650
  • SMR000060657
  • ZINC03198693

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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 mansoni ap endonuclease 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Trichomonas vaginalis ap endonuclease, 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic 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:K10772 AP endonuclease 2, 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE 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
Cryptosporidium parvum conserved hypothetical protein 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva 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 infantum apurinic/apyrimidinic endonuclease-redox protein 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Schistosoma mansoni ap endonuclease 0.0023 0.0086 0.0094
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0086 0.5
Giardia lamblia PHD finger protein 15 0.0032 0.023 0.4205
Echinococcus granulosus muscleblind protein 0.0164 0.2282 0.2442
Echinococcus multilocularis protein will die slowly 0.0316 0.4664 0.5023
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0062 0.0706 0.068
Loa Loa (eye worm) hypothetical protein 0.0123 0.1656 0.1656
Brugia malayi amine oxidase, flavin-containing family protein 0.0175 0.2457 0.2457
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0123 0.1656 1
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.023 0.023
Toxoplasma gondii exonuclease III APE 0.0023 0.0086 0.0239
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0607 0.9199 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0086 0.0086
Entamoeba histolytica SWIRM domain protein 0.0051 0.0533 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0607 0.9199 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0769 0.4447
Entamoeba histolytica SWIRM domain protein 0.0051 0.0533 1
Loa Loa (eye worm) hypothetical protein 0.0607 0.9199 0.9199
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0086 0.1458
Onchocerca volvulus Alhambra homolog 0.0032 0.023 0.023
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0123 0.1656 1
Brugia malayi Matrixin family protein 0.0042 0.038 0.038
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0123 0.1656 1
Leishmania major UDP-galactopyranose mutase 0.0123 0.1656 1
Loa Loa (eye worm) CBP-B 0.0034 0.0258 0.0258
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0086 0.0174
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0769 0.4447
Loa Loa (eye worm) hypothetical protein 0.0022 0.007 0.007
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0123 0.1656 1
Entamoeba histolytica hypothetical protein 0.0051 0.0533 1
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0533 0.1051
Schistosoma mansoni hypothetical protein 0.0032 0.023 0.025
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.023 0.1133
Echinococcus multilocularis muscleblind protein 1 0.0164 0.2282 0.241
Loa Loa (eye worm) hypothetical protein 0.0659 1 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0123 0.1656 1
Toxoplasma gondii SWIRM domain-containing protein 0.0051 0.0533 0.3018
Echinococcus granulosus histone acetyltransferase KAT2B 0.0064 0.0733 0.0749
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0086 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0533 0.1051
Onchocerca volvulus 0.0024 0.0112 0.0112
Brugia malayi Muscleblind-like protein 0.0164 0.2282 0.2282
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0769 0.4483
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0769 0.4447
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0086 0.0174
Loa Loa (eye worm) hypothetical protein 0.0021 0.0058 0.0058
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0086 0.1458
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0335 0.0273
Schistosoma mansoni ap endonuclease 0.0023 0.0086 0.0094
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.023 0.1133
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0086 0.0463
Loa Loa (eye worm) hypothetical protein 0.0051 0.0533 0.0533
Schistosoma mansoni hypothetical protein 0.0186 0.2625 0.2853
Mycobacterium ulcerans oxidoreductase 0.0123 0.1656 1
Brugia malayi jmjC domain containing protein 0.0039 0.0335 0.0335
Brugia malayi acetyltransferase, GNAT family protein 0.0067 0.0775 0.0775
Loa Loa (eye worm) WD40 repeat protein 0.0316 0.4664 0.4664
Brugia malayi TAZ zinc finger family protein 0.0048 0.0478 0.0478
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0769 0.4447
Loa Loa (eye worm) hypothetical protein 0.0175 0.2457 0.2457
Echinococcus multilocularis protoporphyrinogen oxidase 0.0123 0.1656 0.1723
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0769 0.0836
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0335 0.0335
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0086 0.0083
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0086 0.0086
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0335 0.0364
Plasmodium vivax hypothetical protein, conserved 0.0123 0.1656 1
Schistosoma mansoni hypothetical protein 0.0316 0.4664 0.507
Echinococcus multilocularis muscleblind protein 0.0164 0.2282 0.241
Loa Loa (eye worm) hypothetical protein 0.0032 0.023 0.023
Schistosoma mansoni SWI/SNF complex-related 0.0051 0.0533 0.0579
Loa Loa (eye worm) hypothetical protein 0.0164 0.2282 0.2282
Schistosoma mansoni amine oxidase 0.0123 0.1656 0.18
Loa Loa (eye worm) hypothetical protein 0.0164 0.2282 0.2282
Trypanosoma cruzi UDP-galactopyranose mutase 0.0123 0.1656 1
Loa Loa (eye worm) matrixin family protein 0.0042 0.038 0.038
Onchocerca volvulus Matrilysin homolog 0.0038 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0123 0.1656 0.1656
Echinococcus granulosus protein will die slowly 0.0316 0.4664 0.5044
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0335 0.0313
Echinococcus multilocularis peregrin 0.0034 0.0268 0.0199
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0123 0.1656 1
Schistosoma mansoni jumonji domain containing protein 0.0083 0.1027 0.1117
Brugia malayi SWIRM domain containing protein 0.0051 0.0533 0.0533
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0105 0.1362 0.14
Echinococcus granulosus CREB binding protein 0.003 0.0202 0.0168
Loa Loa (eye worm) matrixin family protein 0.0038 0.0326 0.0326
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0425 0.0412
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0335 0.0364
Echinococcus granulosus peregrin 0.0034 0.0268 0.024
Plasmodium vivax hypothetical protein, conserved 0.0032 0.023 0.1133
Echinococcus granulosus geminin 0.0186 0.2625 0.2816
Trichomonas vaginalis WD repeat domain, putative 0.0316 0.4664 1
Brugia malayi Bromodomain containing protein 0.0034 0.0268 0.0268
Echinococcus multilocularis geminin 0.0186 0.2625 0.2786
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0067 0.0775 0.0756
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.076 0.076
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0769 0.0788
Echinococcus granulosus CREB binding protein 0.0048 0.0478 0.047
Schistosoma mansoni hypothetical protein 0.0186 0.2625 0.2853
Onchocerca volvulus Matrix metalloproteinase homolog 0.0038 0.0326 0.0326
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0123 0.1656 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0067 0.0775 0.0842
Onchocerca volvulus 0.0659 1 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0123 0.1656 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0086 0.5
Plasmodium falciparum phd finger protein, putative 0.0032 0.023 0.1336
Echinococcus multilocularis CREB binding protein 0.0033 0.0251 0.0181
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0123 0.1656 0.18
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.023 0.025
Brugia malayi PHD-finger family protein 0.0032 0.023 0.023
Schistosoma mansoni hypothetical protein 0.0024 0.0112 0.0122
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0123 0.1656 1
Plasmodium vivax hypothetical protein, conserved 0.0123 0.1656 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0123 0.1656 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0041 0.0368 0.04
Mycobacterium ulcerans dehydrogenase 0.0123 0.1656 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0585 0.0585
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0086 0.0083
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0425 0.0372
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0021 0.0058 0.0058
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0086 0.0042
Brugia malayi jmjC domain containing protein 0.0105 0.1362 0.1362
Brugia malayi Hemopexin family protein 0.0024 0.0112 0.0112
Mycobacterium tuberculosis Conserved hypothetical protein 0.0123 0.1656 1
Loa Loa (eye worm) hypothetical protein 0.0607 0.9199 0.9199
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0123 0.1656 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.023 0.0199
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0123 0.1656 1
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0769 0.0836
Brugia malayi Will die slowly protein 0.0316 0.4664 0.4664
Schistosoma mansoni CREB-binding protein 2 0.0048 0.0478 0.0519
Chlamydia trachomatis protoporphyrinogen oxidase 0.0123 0.1656 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0105 0.1362 0.1436
Mycobacterium ulcerans monoamine oxidase 0.0123 0.1656 1
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0048 0.0478 0.0519
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0051 0.0533 0.053
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0051 0.0533 0.049
Brugia malayi hypothetical protein 0.0123 0.1656 0.1656
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0769 0.0749
Echinococcus granulosus lysine specific histone demethylase 1A 0.0123 0.1656 0.1757
Echinococcus granulosus lysine specific histone demethylase 1A 0.0607 0.9199 1
Onchocerca volvulus 0.0316 0.4664 0.4664
Toxoplasma gondii histone lysine-specific demethylase 0.0123 0.1656 1
Echinococcus multilocularis 0.0123 0.1656 0.1723
Schistosoma mansoni amine oxidase 0.0123 0.1656 0.18
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.023 0.0158
Loa Loa (eye worm) acetyltransferase 0.0067 0.0775 0.0775
Giardia lamblia hypothetical protein 0.0051 0.0533 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0769 0.4348
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0062 0.0706 0.0719
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0086 0.0239

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.