Detailed information for compound 1266137

Basic information

Technical information
  • TDR Targets ID: 1266137
  • Name: N-(3-methoxyphenyl)-1-[(2-oxo-3H-1,3-benzoxaz ol-6-yl)sulfonyl]piperidine-4-carboxamide
  • MW: 431.462 | Formula: C20H21N3O6S
  • H donors: 2 H acceptors: 5 LogP: 2.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)oc(n2)O
  • InChi: 1S/C20H21N3O6S/c1-28-15-4-2-3-14(11-15)21-19(24)13-7-9-23(10-8-13)30(26,27)16-5-6-17-18(12-16)29-20(25)22-17/h2-6,11-13H,7-10H2,1H3,(H,21,24)(H,22,25)
  • InChiKey: AGPQJINAOTVEJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-methoxyphenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-4-piperidinecarboxamide
  • 1-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]-N-(3-methoxyphenyl)isonipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Loa Loa (eye worm) exodeoxyribonuclease III family 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
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 vivax 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, 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 parvum conserved hypothetical 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
Trichomonas vaginalis ap 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Theileria parva hypothetical 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,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
Toxoplasma gondii exonuclease III APE 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
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 fatty acid desaturase, putative 0.048 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0454 0.0546
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0077 0.1186 0.2124
Trypanosoma brucei delta-4 fatty acid desaturase 0.0077 0.1186 0.1186
Trypanosoma cruzi fatty acid desaturase, putative 0.0077 0.1186 0.1186
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0077 0.1186 1
Trichomonas vaginalis esterase, putative 0.0043 0.0454 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0454 1
Leishmania major delta-6 fatty acid desaturase 0.0077 0.1186 0.1186
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0077 0.1186 0.1186
Loa Loa (eye worm) beta-lactamase 0.0043 0.0454 0.0546
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0077 0.1186 0.1186
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0077 0.1186 0.1186
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0454 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0077 0.1186 0.2124
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0454 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0454 1
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0403 0.8317 1
Trypanosoma brucei unspecified product 0.0023 0.0013 0.0013
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0013 0.0286
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0013 0.0013
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0013 0.0013
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0013 0.011
Mycobacterium ulcerans hypothetical protein 0.0077 0.1186 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0013 0.0013
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0454 0.0814
Loa Loa (eye worm) hypothetical protein 0.0043 0.0454 0.0546
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0013 0.011
Trypanosoma cruzi fatty acid desaturase, putative 0.0077 0.1186 0.1186
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0454 0.0814
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0454 0.0546
Leishmania major DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Mycobacterium tuberculosis Conserved protein 0.0043 0.0454 0.0814
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0077 0.1186 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0077 0.1186 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0454 0.3833
Loa Loa (eye worm) hypothetical protein 0.0043 0.0454 0.0546
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0077 0.1186 0.1186
Onchocerca volvulus 0.048 1 1
Loa Loa (eye worm) fatty acid desaturase 0.0077 0.1186 0.1425
Mycobacterium leprae Probable lipase LipE 0.0043 0.0454 0.5
Mycobacterium tuberculosis Probable conserved membrane protein 0.0077 0.1186 0.2124
Mycobacterium ulcerans lipase LipD 0.0043 0.0454 0.3833
Loa Loa (eye worm) hypothetical protein 0.0077 0.1186 0.1425
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0077 0.1186 0.1186
Leishmania major fatty-acid desaturase, putative 0.048 1 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0454 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0454 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0403 0.8317 0.8317
Brugia malayi beta-lactamase family protein 0.0043 0.0454 0.0546
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0013 0.011
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0013 1
Brugia malayi Delta5 fatty acid desaturase 0.0077 0.1186 0.1425
Loa Loa (eye worm) hypothetical protein 0.0043 0.0454 0.0546
Trypanosoma cruzi fatty acid desaturase, putative 0.048 1 1
Loa Loa (eye worm) acyl-CoA desaturase 0.0403 0.8317 1
Onchocerca volvulus 0.048 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0013 0.0286
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0077 0.1186 0.1186
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0077 0.1186 0.1186
Brugia malayi beta-lactamase 0.0043 0.0454 0.0546
Trypanosoma cruzi fatty acid desaturase, putative 0.0403 0.8317 0.8317
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0077 0.1186 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Brugia malayi Fatty acid desaturase family protein 0.0077 0.1186 0.1425
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0454 0.3833
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0077 0.1186 0.1186
Leishmania major fatty acid desaturase, putative 0.0077 0.1186 0.1186
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0454 0.0814
Giardia lamblia DINP protein human, muc B family 0.0023 0.0013 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0013 0.011
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0013 0.011
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0077 0.1186 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0013 0.011
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0454 0.0814
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0077 0.1186 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0454 0.3833
Leishmania major fatty acid desaturase, putative 0.0077 0.1186 0.1186
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0013 0.0013
Echinococcus multilocularis dna polymerase eta 0.0023 0.0013 0.011
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Plasmodium falciparum stearoyl-CoA desaturase 0.0403 0.8317 1
Leishmania major DNA polymerase eta, putative 0.0023 0.0013 0.0013
Mycobacterium ulcerans electron transfer protein FdxB 0.0077 0.1186 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0013 0.011
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0454 0.0814
Echinococcus granulosus Fatty acid desaturase type 1 0.0077 0.1186 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0454 0.3833
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0013 0.0023
Loa Loa (eye worm) hypothetical protein 0.0043 0.0454 0.0546
Toxoplasma gondii ABC1 family protein 0.0043 0.0454 0.3833
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5582 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0454 0.3833
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0454 0.3833
Loa Loa (eye worm) FAT-3 protein 0.0077 0.1186 0.1425
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Echinococcus granulosus dna polymerase kappa 0.0023 0.0013 0.011
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0454 0.0454
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0454 0.3833
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0077 0.1186 1
Onchocerca volvulus 0.0077 0.1186 0.0766
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0454 0.0814
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0077 0.1186 0.1186
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0013 0.0023
Schistosoma mansoni DNA polymerase eta 0.0023 0.0013 0.011
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0013 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0043 0.0454 0.0546
Mycobacterium tuberculosis Conserved protein 0.0043 0.0454 0.0814
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0013 0.0016
Brugia malayi beta-lactamase family protein 0.0043 0.0454 0.0546
Loa Loa (eye worm) fatty acid desaturase 0.0077 0.1186 0.1425
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Leishmania major delta-12 fatty acid desaturase 0.0077 0.1186 0.1186
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0077 0.1186 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Schistosoma mansoni fatty acid desaturase 0.0077 0.1186 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0013 0.011
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0077 0.1186 0.1186
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0013 0.0016
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0023 0.0013 0.0016
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0013 0.0013
Mycobacterium ulcerans hypothetical protein 0.0077 0.1186 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0454 0.0814
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0454 0.0546
Leishmania major delta-4 fatty acid desaturase 0.0077 0.1186 0.1186
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0077 0.1186 0.1186
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0454 0.0546
Brugia malayi acyl-CoA desaturase 0.0403 0.8317 1
Brugia malayi Fatty acid desaturase family protein 0.0077 0.1186 0.1425
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0454 0.0454
Leishmania major delta-5 fatty acid desaturase 0.0077 0.1186 0.1186
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0013 0.0013
Leishmania major hypothetical protein, conserved 0.0043 0.0454 0.0454
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0454 0.0814
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0013 0.0016
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0077 0.1186 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0454 0.3833
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0013 0.0013

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.1192 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] 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
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

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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