Detailed information for compound 1424441

Basic information

Technical information
  • TDR Targets ID: 1424441
  • Name: 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan- 2-ylmethyl)acetamide
  • MW: 396.501 | Formula: C19H28N2O5S
  • H donors: 2 H acceptors: 3 LogP: 2.42 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc(cc1)S(=O)(=O)NC1CCCCC1)NCC1CCCO1
  • InChi: 1S/C19H28N2O5S/c22-19(20-13-17-7-4-12-25-17)14-26-16-8-10-18(11-9-16)27(23,24)21-15-5-2-1-3-6-15/h8-11,15,17,21H,1-7,12-14H2,(H,20,22)
  • InChiKey: WOWAHJWLJOANHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(tetrahydrofuran-2-ylmethyl)acetamide
  • 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-tetrahydrofuranylmethyl)acetamide
  • 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(tetrahydrofurfuryl)acetamide
  • 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamide
  • MLS000048309
  • AH-487/41804446
  • 2-{4-[(cyclohexylamino)sulfonyl]phenoxy}-N-(tetrahydro-2-furanylmethyl)acetamide
  • BAS 06185603
  • SMR000073676
  • 2-(4-Cyclohexylsulfamoyl-phenoxy)-N-(tetrahydro-furan-2-ylmethyl)-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2275 0.1913
Schistosoma mansoni P2X receptor subunit 0.0157 1 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.3687 0.479
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0839 0.5
Brugia malayi MH2 domain containing protein 0.0123 0.7664 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2275 0.294
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.316 0.3758
Echinococcus multilocularis tar DNA binding protein 0.0065 0.3687 0.3391
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0839 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0839 0.5
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0839 0.5
Loa Loa (eye worm) RecQ helicase 0.0024 0.0839 0.1058
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.316 0.4098
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.3687 0.4489
Loa Loa (eye worm) hypothetical protein 0.0039 0.1904 0.2454
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3687 0.3687
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3687 0.3687
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2275 0.2533
Schistosoma mansoni DNA helicase recq1 0.0024 0.0839 0.0839
Schistosoma mansoni hypothetical protein 0.0018 0.0448 0.0448
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0839 0.0543
Loa Loa (eye worm) hypothetical protein 0.0018 0.0448 0.0545
Schistosoma mansoni hypothetical protein 0.0018 0.0448 0.0448
Treponema pallidum ATP-dependent DNA helicase 0.0012 0.0032 0.5
Echinococcus multilocularis p2X purinoceptor 4 0.0157 1 1
Echinococcus multilocularis p2X purinoceptor 4 0.0157 1 1
Brugia malayi TAR-binding protein 0.0065 0.3687 0.4489
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0839 0.0543
Brugia malayi RNA binding protein 0.0065 0.3687 0.4489
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3687 0.3687
Echinococcus granulosus p2X purinoceptor 4 0.0157 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0032 0.00000000088987
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.316 0.3758
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.7664 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3687 0.3687
Schistosoma mansoni P2X receptor subunit 0.0157 1 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0839 0.5
Echinococcus multilocularis p2X purinoceptor 4 0.0157 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0448 0.0545
Loa Loa (eye worm) hypothetical protein 0.0024 0.0839 0.1058
Giardia lamblia Sgs1 DNA helicase, putative 0.0024 0.0839 0.5
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0839 0.0543
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 0.0839 0.041
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0024 0.0839 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.3687 0.479
Echinococcus granulosus tar DNA binding protein 0.0065 0.3687 0.3391
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2275 0.2275
Entamoeba histolytica recQ family DNA helicase 0.0012 0.0032 0.0381
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2275 0.1913
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1904 0.2019
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.0032 0.0032
Loa Loa (eye worm) RNA binding protein 0.0065 0.3687 0.479
Echinococcus granulosus bloom syndrome protein 0.0024 0.0839 0.041
Schistosoma mansoni hypothetical protein 0.0039 0.1904 0.1904
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0839 0.041
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0032 0.0381
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2275 0.2275
Echinococcus granulosus p2X purinoceptor 4 0.0157 1 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3687 0.3687
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0839 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0839 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2275 0.2275
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.0032 1
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0839 0.5
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0839 1
Schistosoma mansoni hypothetical protein 0.0018 0.0448 0.0448
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0839 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.316 0.4098
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 0.0839 0.041
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.7664 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 0.0839 0.041
Schistosoma mansoni P2X receptor subunit 0.0157 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2275 0.1913
Schistosoma mansoni P2X receptor subunit 0.0157 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2275 0.1913
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.0839 0.1058
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 0.0839 0.041
Schistosoma mansoni DNA helicase recq5 0.0024 0.0839 0.0839
Schistosoma mansoni hypothetical protein 0.0018 0.0448 0.0448

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1413 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 100 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) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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