Detailed information for compound 1386214

Basic information

Technical information
  • TDR Targets ID: 1386214
  • Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-hydroxy- 5-(phenylmethylsulfamoyl)benzoate
  • MW: 465.475 | Formula: C24H19NO7S
  • H donors: 2 H acceptors: 5 LogP: 4.58 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(ccc1O)S(=O)(=O)NCc1ccccc1)OCC(=O)c1cc2c(o1)cccc2
  • InChi: 1S/C24H19NO7S/c26-20-11-10-18(33(29,30)25-14-16-6-2-1-3-7-16)13-19(20)24(28)31-15-21(27)23-12-17-8-4-5-9-22(17)32-23/h1-13,25-26H,14-15H2
  • InChiKey: PQRMYAFXLZHLNN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(benzofuran-2-yl)-2-oxo-ethyl] 2-hydroxy-5-(phenylmethylsulfamoyl)benzoate
  • 2-hydroxy-5-(phenylmethylsulfamoyl)benzoic acid [2-(2-benzofuranyl)-2-oxoethyl] ester
  • 5-(benzylsulfamoyl)-2-hydroxy-benzoic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester
  • [2-(1-benzofuran-2-yl)-2-oxo-ethyl] 2-hydroxy-5-(phenylmethylsulfamoyl)benzoate
  • T0515-2896
  • ZINC03295301
  • MLS001003056
  • SMR000372699

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei protein kinase, putative 0.0062 0.6228 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4145 0.3675
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.6228 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.4145 0.6202
Schistosoma mansoni eyes absent homolog 0.0091 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4145 0.3675
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.4145 0.3675
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0743 0.1193
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.6228 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0743 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0743 0.1193
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0743 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.6228 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0743 0.1193
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.6228 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.6228 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0743 0.1193
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.6228 1
Trypanosoma brucei unspecified product 0.0019 0.0743 0.1193
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.4145 0.6202
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.4145 0.6202
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.6228 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0743 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0743 0.1193
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.6228 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.6228 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0743 0.1193
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0743 0.1193
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.4145 0.6202
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0743 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0743 0.1193
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0743 0.1193
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.6228 0.5925
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0743 0.1193
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.6228 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.6228 0.5925
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0743 0.1193
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0743 0.1193
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0743 0.1193
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.6228 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.4145 0.3675
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.6228 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.6228 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0743 0.1193
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0743 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.6228 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.4145 0.3675
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.6228 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.6228 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.6228 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Brugia malayi MAP kinase sur-1 0.0062 0.6228 0.5925

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.