Detailed information for compound 1345569

Basic information

Technical information
  • TDR Targets ID: 1345569
  • Name: 2-chloro-N-(1,1-dioxothiolan-3-yl)-5-(ethyl-p henylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamid e
  • MW: 541.08 | Formula: C24H29ClN2O6S2
  • H donors: 0 H acceptors: 5 LogP: 3.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(S(=O)(=O)c1ccc(c(c1)C(=O)N(C1CCS(=O)(=O)C1)CC1CCCO1)Cl)c1ccccc1
  • InChi: 1S/C24H29ClN2O6S2/c1-2-27(18-7-4-3-5-8-18)35(31,32)21-10-11-23(25)22(15-21)24(28)26(16-20-9-6-13-33-20)19-12-14-34(29,30)17-19/h3-5,7-8,10-11,15,19-20H,2,6,9,12-14,16-17H2,1H3
  • InChiKey: PDGVQNKYYZNZMG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-chloro-N-(1,1-dioxothiolan-3-yl)-5-(ethyl-phenyl-sulfamoyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
  • 2-chloro-N-(1,1-dioxo-3-thiolanyl)-5-(ethyl-phenylsulfamoyl)-N-(2-tetrahydrofuranylmethyl)benzamide
  • 2-chloro-N-(1,1-diketothiolan-3-yl)-5-(ethyl-phenyl-sulfamoyl)-N-(tetrahydrofurfuryl)benzamide
  • 2-chloro-N-(1,1-dioxothiolan-3-yl)-5-(ethyl-phenyl-sulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
  • T5315442
  • MLS000760236
  • SMR000368661

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.1598 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0467 0.0242
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0397 0.0114
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0467 0.292
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3456 0.4427
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7437 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.0467 0.9876
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0294 0.0366
Loa Loa (eye worm) hypothetical protein 0.0085 0.9283 1
Giardia lamblia GTOR 0.0022 0.0467 0.5
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.1598 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0022 0.0467 0.9876
Toxoplasma gondii FATC domain-containing protein 0.003 0.1598 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0467 0.292
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0467 0.0242
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.1214 0.1287
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0467 0.292
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.0467 0.292
Echinococcus multilocularis zinc finger protein 0.0024 0.0717 0.0592
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0294 0.0366
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0467 0.292
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0894 0.0667
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.1015 0.6353
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.1598 0.1989
Entamoeba histolytica hypothetical protein 0.003 0.1598 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.4581 0.4769
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0467 0.0192
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.0467 0.9876
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0467 0.0242
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.1598 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0467 0.0581
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0467 0.292
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0294 0.0366
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0473 1
Echinococcus multilocularis serine protein kinase ATM 0.003 0.1598 0.1826
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.1598 0.1187
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0467 0.0192
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0467 0.0581
Loa Loa (eye worm) hypothetical protein 0.0046 0.3864 0.3972
Schistosoma mansoni zinc finger protein 0.0024 0.0717 0.0891
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.0467 0.292
Loa Loa (eye worm) hypothetical protein 0.0049 0.4261 0.4413
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3456 0.4427
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7437 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0022 0.0467 0.9876
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0467 0.292
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0022 0.0467 0.9876
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0473 0.2957
Brugia malayi PHD-finger family protein 0.003 0.161 0.1199
Schistosoma mansoni bromodomain containing protein 0.0076 0.8037 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0294 0.0366
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.1214 0.151
Brugia malayi Bromodomain containing protein 0.0046 0.3853 0.3552
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0467 0.292
Echinococcus granulosus zinc finger protein 0.0024 0.0717 0.0592
Echinococcus granulosus serine protein kinase ATM 0.003 0.1598 0.1826
Schistosoma mansoni hypothetical protein 0.0025 0.0894 0.1112
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.1214 0.1287
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.0467 0.292
Loa Loa (eye worm) hypothetical protein 0.0026 0.1015 0.0803
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0467 0.0242

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 1.6511 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) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 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) 14.6308 uM PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia: Secondary assay (no NCS) hit validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485356] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

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