Detailed information for compound 1315127

Basic information

Technical information
  • TDR Targets ID: 1315127
  • Name: ZINC00157044
  • MW: 303.285 | Formula: C11H11F2N3O3S
  • H donors: 1 H acceptors: 3 LogP: 1.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(Oc1ccc(cc1)NS(=O)(=O)c1ncn(c1)C)F
  • InChi: 1S/C11H11F2N3O3S/c1-16-6-10(14-7-16)20(17,18)15-8-2-4-9(5-3-8)19-11(12)13/h2-7,11,15H,1H3
  • InChiKey: LPFALQSBUORXCA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000850460
  • N-[4-(difluoromethoxy)phenyl]-1-methyl-1H-imidazole-4-sulfonamide
  • SMR000456478

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
Homo sapiens glucagon-like peptide 1 receptor 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Cryptosporidium hominis 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
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
Trypanosoma brucei gambiense apurinic/apyrimidinic 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
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 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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
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 braziliensis apurinic/apyrimidinic endonuclease-redox protein 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 DNA-(apurinic or apyrimidinic site) lyase 2, 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
Neospora caninum hypothetical protein 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox 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
Plasmodium yoelii putative AP endonuclease-related 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Trichomonas vaginalis ap 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
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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Theileria parva hypothetical 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
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
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1594 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.1594 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0917 0.0814
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0137 0.5
Mycobacterium leprae Probable lipase LipE 0.0043 0.0917 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2037 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.1643 0.1643
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0137 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.0917 0.0814
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0917 0.0814
Trypanosoma brucei protein kinase, putative 0.0062 0.1594 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.1594 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0917 0.0917
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0137 0.0137
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0917 0.0917
Brugia malayi TAR-binding protein 0.0063 0.1643 0.1643
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2037 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0917 0.4501
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.9708 1
Onchocerca volvulus 0.0058 0.1471 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0917 0.0814
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.3618 0.3618
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0917 0.5349
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1643 0.8067
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0137 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0917 0.0814
Brugia malayi MH2 domain containing protein 0.0115 0.3618 0.3618
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0917 0.0814
Mycobacterium ulcerans beta-lactamase 0.0043 0.0917 0.4103
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1594 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0917 0.5349
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2037 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1594 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0917 0.0814
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1544 0.1544
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1643 0.8067
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1643 0.8067
Schistosoma mansoni hypothetical protein 0.0041 0.0829 0.4073
Echinococcus multilocularis tar DNA binding protein 0.0063 0.1643 0.1643
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0917 0.5349
Schistosoma mansoni survival motor neuron protein 0.0058 0.1471 0.7222
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1643 0.8067
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0829 0.0829
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0917 0.0917
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1471 0.1471
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0917 0.5349
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.1594 0.1594
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2037 0.2037
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0137 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.1643 0.1643
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.1594 0.767
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.1594 0.1594
Brugia malayi RNA binding protein 0.0063 0.1643 0.1643
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2037 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Schistosoma mansoni ap endonuclease 0.0023 0.0137 0.0675
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0917 0.5349
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.1594 0.1594
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.1594 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0917 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0917 0.4103
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0917 0.0814
Brugia malayi MAP kinase sur-1 0.0062 0.1594 0.1594
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0917 0.4103
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1544 0.1544
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2037 0.2037
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1643 0.8067
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.1594 0.767
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Mycobacterium ulcerans hypothetical protein 0.0043 0.0917 0.4103
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Trichomonas vaginalis esterase, putative 0.0043 0.0917 0.5349
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.3618 0.3618
Loa Loa (eye worm) RNA binding protein 0.0063 0.1643 0.1643
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0917 0.5349
Mycobacterium tuberculosis Conserved protein 0.0043 0.0917 0.0814
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2037 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Schistosoma mansoni ap endonuclease 0.0023 0.0137 0.0675
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.1594 0.7827
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0917 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.0917 0.0917
Loa Loa (eye worm) TAR-binding protein 0.0063 0.1643 0.1643
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1594 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.006 0.1544 0.1544
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0137 0.0137
Brugia malayi beta-lactamase family protein 0.0043 0.0917 0.0917
Loa Loa (eye worm) beta-lactamase 0.0043 0.0917 0.0917
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.1594 0.1594
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2037 0.1984
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0917 0.4501
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1594 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2037 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.1594 0.1594
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.1594 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0917 0.5349
Mycobacterium ulcerans lipase LipD 0.0043 0.0917 0.4103
Brugia malayi beta-lactamase 0.0043 0.0917 0.0917
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1594 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0829 0.0829
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0917 0.0814
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0137 0.0137
Leishmania major hypothetical protein, conserved 0.0043 0.0917 0.4103
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1544 0.1544
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2037 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.1643 0.1643
Toxoplasma gondii ABC1 family protein 0.0043 0.0917 0.4103
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0917 0.5349
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.1594 0.767
Schistosoma mansoni hypothetical protein 0.0058 0.1471 0.7222

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8275 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) = 3.5481 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) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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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