Detailed information for compound 1307700

Basic information

Technical information
  • TDR Targets ID: 1307700
  • Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4- methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)ac etamide
  • MW: 472.557 | Formula: C23H28N4O5S
  • H donors: 2 H acceptors: 5 LogP: 2.17 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1cc(ccc1C)NC(=O)CN1C(=O)NC(C1=O)(C)c1ccccc1)CC
  • InChi: 1S/C23H28N4O5S/c1-5-26(6-2)33(31,32)19-14-18(13-12-16(19)3)24-20(28)15-27-21(29)23(4,25-22(27)30)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,24,28)(H,25,30)
  • InChiKey: MRCNPUQDRIEFAP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-methyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl)acetamide
  • N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)acetamide
  • N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(2,5-diketo-4-methyl-4-phenyl-imidazolidin-1-yl)acetamide
  • N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-methyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl)ethanamide
  • T5249495

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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 infantum apurinic/apyrimidinic endonuclease-redox protein 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 DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum conserved hypothetical protein 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
Trichomonas vaginalis ap 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 ulcerans exodeoxyribonuclease III protein XthA 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
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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Trypanosoma cruzi 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
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 donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Trypanosoma brucei gambiense 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10772 AP endonuclease 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum 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
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0057 0.1727 0.1727
Onchocerca volvulus Alhambra homolog 0.0057 0.1727 0.1369
Schistosoma mansoni hypothetical protein 0.0166 0.663 0.663
Schistosoma mansoni hypothetical protein 0.0057 0.1727 0.1727
Trichomonas vaginalis set domain proteins, putative 0.0232 0.9602 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.3559 0.3559
Brugia malayi jmjC domain containing protein 0.0069 0.2266 0.2719
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0048 0.0058
Echinococcus multilocularis lysine specific demethylase 5A 0.0069 0.2266 0.212
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0029 0.0477 0.0477
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0477 0.2764
Brugia malayi Pre-SET motif family protein 0.0029 0.0477 0.0573
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1652 0.1652
Giardia lamblia PHD finger protein 15 0.0057 0.1727 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0057 0.1727 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0069 0.2266 0.2266
Loa Loa (eye worm) jmjC domain-containing protein 0.0117 0.4458 0.4458
Schistosoma mansoni hypothetical protein 0.0166 0.663 0.663
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0477 0.0477
Toxoplasma gondii exonuclease III APE 0.0023 0.0186 0.1075
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0477 0.0297
Loa Loa (eye worm) hypothetical protein 0.0057 0.1727 0.1727
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0186 0.7563 0.7517
Loa Loa (eye worm) leukotriene A4 hydrolase 0.024 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0186 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0186 0.1075
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0186 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0477 0.0477
Schistosoma mansoni jumonji/arid domain-containing protein 0.0069 0.2266 0.2266
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.2266 0.2266
Echinococcus multilocularis geminin 0.0166 0.663 0.6566
Loa Loa (eye worm) PHD-finger family protein 0.0057 0.1727 0.1727
Brugia malayi Pre-SET motif family protein 0.0203 0.8335 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0186 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0069 0.2266 0.212
Echinococcus multilocularis leukotriene A 4 hydrolase 0.024 1 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0477 0.2764
Echinococcus granulosus geminin 0.0166 0.663 0.6566
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0477 0.0297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1652 0.1652
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1652 0.1494
Schistosoma mansoni ap endonuclease 0.0023 0.0186 0.0186
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8335 0.8335
Schistosoma mansoni ap endonuclease 0.0023 0.0186 0.0186
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1652 0.1494
Schistosoma mansoni jumonji domain containing protein 0.0148 0.5836 0.5836
Brugia malayi hypothetical protein 0.0111 0.4145 0.4973
Echinococcus granulosus PHD finger protein rhinoceros 0.0057 0.1727 0.157
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0186 0.0186
Echinococcus granulosus peregrin 0.0057 0.1727 0.157
Plasmodium falciparum phd finger protein, putative 0.0057 0.1727 1
Echinococcus multilocularis jumonji domain containing protein 0.0079 0.2731 0.2594
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0186 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0429 0.0248
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0186 0.5
Plasmodium vivax hypothetical protein, conserved 0.0057 0.1727 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1652 0.1982
Echinococcus multilocularis PHD finger protein rhinoceros 0.0057 0.1727 0.157
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.024 1 1
Echinococcus multilocularis peregrin 0.0057 0.1727 0.157
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0477 0.0477
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0477 0.0477
Echinococcus granulosus jumonji domain containing protein 0.0079 0.2731 0.2594
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0186 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1652 0.1652
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0186 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0186 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0186 0.0223
Toxoplasma gondii PHD-finger domain-containing protein 0.0057 0.1727 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1652 0.1494
Brugia malayi PHD-finger family protein 0.0057 0.1727 0.2072
Onchocerca volvulus 0.0232 0.9602 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1652 0.1494
Brugia malayi jmjC domain containing protein 0.0186 0.7563 0.9074
Brugia malayi Bromodomain containing protein 0.0057 0.1727 0.2072
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0186 0.7563 0.7517
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1652 0.1652
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0186 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0477 0.0297
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0186 0.1075

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0042 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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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