Detailed information for compound 1494655

Basic information

Technical information
  • TDR Targets ID: 1494655
  • Name: 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzo nitrile
  • MW: 253.279 | Formula: C13H7N3OS
  • H donors: 0 H acceptors: 3 LogP: 2.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)c1csc(n1)c1ccno1
  • InChi: 1S/C13H7N3OS/c14-7-9-1-3-10(4-2-9)11-8-18-13(16-11)12-5-6-15-17-12/h1-6,8H
  • InChiKey: VZBBRNPBKJUAGB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(2-isoxazol-5-ylthiazol-4-yl)benzonitrile
  • 4-[2-(5-isoxazolyl)-4-thiazolyl]benzonitrile
  • Oprea1_189501
  • IDI1_018355
  • Maybridge3_006968
  • 4-(2-isoxazol-5-yl-1,3-thiazol-4-yl)benzonitrile
  • MLS000859290
  • SMR000461167
  • ZINC00114019

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi exodeoxyribonuclease III family protein 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-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
Trichomonas vaginalis ap 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
Schistosoma mansoni ap endonuclease 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Trypanosoma brucei 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
Echinococcus granulosus 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
Toxoplasma gondii exonuclease III APE 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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) TAR-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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum conserved hypothetical 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi apurinic/apyrimidinic 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 vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1048 0.4029
Echinococcus multilocularis GPCR, family 2 0.0034 0.0563 0.0563
Loa Loa (eye worm) hypothetical protein 0.0229 1 1
Brugia malayi TAR-binding protein 0.0076 0.2602 0.2602
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1048 0.1048
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1048 0.1048
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0563 0.0563
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.4153 0.4153
Schistosoma mansoni hypothetical protein 0.0047 0.1165 0.4478
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.4153 0.4153
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0563 0.0563
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2602 0.2602
Echinococcus granulosus GPCR family 2 0.0034 0.0563 0.0563
Schistosoma mansoni hypothetical protein 0.0034 0.0563 0.2164
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2602 0.2602
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2602 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1048 0.4029
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1048 0.1048
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0563 0.2164
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.4153 0.4153
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1165 0.1165
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0563 0.0563
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2602 1
Schistosoma mansoni hypothetical protein 0.0034 0.0563 0.2164
Loa Loa (eye worm) RNA binding protein 0.0076 0.2602 0.2602
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0563 0.0563
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0563 0.0563
Brugia malayi RNA binding protein 0.0076 0.2602 0.2602
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2602 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.1165 0.4478
Echinococcus granulosus survival motor neuron protein 1 0.0229 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.2492 0.2492
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0563 0.2164
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0563 0.0563
Echinococcus granulosus tar DNA binding protein 0.0076 0.2602 0.2602
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2602 0.2602
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2602 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Onchocerca volvulus 0.0047 0.1165 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1048 0.1048
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.2492 0.2492
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2602 0.2602
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Toxoplasma gondii exonuclease III APE 0.0023 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.4153 0.4153
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0229 1 1
Schistosoma mansoni hypothetical protein 0.0074 0.2492 0.9576
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0563 0.0563
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1048 0.4029
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1048 0.1048
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2602 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1048 0.1048
Loa Loa (eye worm) hypothetical protein 0.0034 0.0563 0.0563

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) 18.526 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

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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