Detailed information for compound 1395684

Basic information

Technical information
  • TDR Targets ID: 1395684
  • Name: 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-p ropan-2-yl-1,2-oxazole-4-carboxamide
  • MW: 343.205 | Formula: C15H16Cl2N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(Cl)cc(cc1Cl)c1noc(c1C(=O)NC(C)C)C
  • InChi: 1S/C15H16Cl2N2O3/c1-7(2)18-15(20)12-8(3)22-19-13(12)9-5-10(16)14(21-4)11(17)6-9/h5-7H,1-4H3,(H,18,20)
  • InChiKey: GMYWMMDJXPCPHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,5-dichloro-4-methoxy-phenyl)-N-isopropyl-5-methyl-isoxazole-4-carboxamide
  • 3-(3,5-dichloro-4-methoxyphenyl)-N-isopropyl-5-methyl-4-isoxazolecarboxamide
  • 3-(3,5-dichloro-4-methoxy-phenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
  • MLS000120091
  • SMR000097008

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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 mansoni ap endonuclease 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
Theileria parva hypothetical protein 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
Toxoplasma gondii exonuclease III APE 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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA 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
Brugia malayi exodeoxyribonuclease III family protein 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
Schistosoma mansoni 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
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
Neospora caninum 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
Cryptosporidium parvum conserved hypothetical 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) exodeoxyribonuclease III family 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 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
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
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
Trypanosoma brucei unspecified product 0.0023 0.0035 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.321 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0035 0.0035
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0035 1
Schistosoma mansoni single-minded 0.0057 0.2029 0.6322
Brugia malayi TAR-binding protein 0.0076 0.321 0.321
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0035 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.0035 0.011
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0035 0.011
Echinococcus granulosus dna polymerase eta 0.0023 0.0035 0.011
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0035 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0035 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0035 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0076 0.321 1
Brugia malayi RNA binding protein 0.0076 0.321 0.321
Loa Loa (eye worm) hypoxia-induced factor 1 0.0176 0.912 0.912
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0035 0.0035
Giardia lamblia DINP protein human, muc B family 0.0023 0.0035 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0035 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0035 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0035 0.0308
Brugia malayi PAS domain containing protein 0.0057 0.2029 0.2029
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0035 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.321 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0035 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0035 1
Brugia malayi bHLH-PAS transcription factor 0.0042 0.115 0.115
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0035 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0035 1
Toxoplasma gondii exonuclease III APE 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.321 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.0035 1
Loa Loa (eye worm) hypothetical protein 0.019 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0035 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.0035 0.011
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.321 0.321
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0035 0.011
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0035 0.011
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0035 0.011
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0035 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.321 0.321
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0035 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0035 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0035 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0035 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0035 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0035 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Schistosoma mansoni aryl hydrocarbon receptor 0.0057 0.2029 0.6322
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.321 0.321
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0035 1
Brugia malayi hypoxia-induced factor 1 0.0176 0.912 0.912
Onchocerca volvulus 0.0042 0.115 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0035 0.0308
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.321 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.0035 0.011
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0035 0.011
Echinococcus multilocularis tar DNA binding protein 0.0076 0.321 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0035 0.0035
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0035 1
Echinococcus granulosus single minded 2 0.0042 0.115 0.3581
Mycobacterium ulcerans putative regulatory protein 0.0042 0.115 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0035 1
Echinococcus multilocularis transfer RNA-Lys 0.0042 0.115 0.3581
Loa Loa (eye worm) RNA binding protein 0.0076 0.321 0.321
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0035 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0035 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0035 1
Leishmania major DNA polymerase eta, putative 0.0023 0.0035 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.321 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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) 3.9811 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 20.7865 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 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

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

No literature references available for this target.

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