Detailed information for compound 1381751

Basic information

Technical information
  • TDR Targets ID: 1381751
  • Name: 2-(2-fluorophenoxy)-N-[4-(furan-2-ylmethylsul famoyl)phenyl]acetamide
  • MW: 404.412 | Formula: C19H17FN2O5S
  • H donors: 2 H acceptors: 3 LogP: 2.46 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)NCc1ccco1)COc1ccccc1F
  • InChi: 1S/C19H17FN2O5S/c20-17-5-1-2-6-18(17)27-13-19(23)22-14-7-9-16(10-8-14)28(24,25)21-12-15-4-3-11-26-15/h1-11,21H,12-13H2,(H,22,23)
  • InChiKey: RZFRZVXOTNQLIL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-fluorophenoxy)-N-[4-(2-furylmethylsulfamoyl)phenyl]acetamide
  • 2-(2-fluorophenoxy)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethanamide
  • T5250562
  • MLS000098833
  • SMR000067053
  • ZINC02659923

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
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
Loa Loa (eye worm) endoprotease bli-4 0.0495 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.1167 0.0901
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0301 0.5137 1
Schistosoma mansoni lipoxygenase 0.0142 0.1167 0.1167
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0301 0.5137 0.4865
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0301 0.5137 1
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0117 0.053 0.053
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.053 0.1032
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0495 1 1
Echinococcus multilocularis 0.0399 0.7602 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.053 0.1032
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0301 0.5137 0.6515
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.053 0.1032
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.1167 0.0673
Brugia malayi celfurPC protein 0.0399 0.7602 0.4795
Giardia lamblia High cysteine membrane protein Group 2 0.0184 0.2209 1
Loa Loa (eye worm) hypothetical protein 0.0495 1 1
Echinococcus granulosus neuroendocrine convertase 2 0.0311 0.5393 0.5135
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.053 0.1032
Schistosoma mansoni lipoxygenase 0.01 0.0094 0.0094
Echinococcus multilocularis neuroendocrine convertase 2 0.0311 0.5393 0.6877
Schistosoma mansoni furin-1 (S08 family) 0.0215 0.2995 0.2995
Loa Loa (eye worm) hypothetical protein 0.0194 0.2465 0.2043
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.053 0.1032
Echinococcus granulosus furin 0.0495 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.053 0.1032

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 11.6891 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) 25.1189 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
Potency (binding) = 28.1838 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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