Detailed information for compound 1410700

Basic information

Technical information
  • TDR Targets ID: 1410700
  • Name: N'-(2-furan-2-ylethyl)-N-[(1-phenylsulfonylpy rrolidin-2-yl)methyl]oxamide
  • MW: 405.468 | Formula: C19H23N3O5S
  • H donors: 2 H acceptors: 4 LogP: 1.71 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)NCC1CCCN1S(=O)(=O)c1ccccc1)NCCc1ccco1
  • InChi: 1S/C19H23N3O5S/c23-18(20-11-10-16-7-5-13-27-16)19(24)21-14-15-6-4-12-22(15)28(25,26)17-8-2-1-3-9-17/h1-3,5,7-9,13,15H,4,6,10-12,14H2,(H,20,23)(H,21,24)
  • InChiKey: YQVVVZYDQQSOTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[2-(2-furyl)ethyl]-N-[(1-phenylsulfonylpyrrolidin-2-yl)methyl]oxamide
  • N'-[2-(2-furyl)ethyl]-N-[(1-phenylsulfonyl-2-pyrrolidinyl)methyl]oxamide
  • N'-(2-furan-2-ylethyl)-N-[(1-phenylsulfonylpyrrolidin-2-yl)methyl]ethanediamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii heat shock protein HSP90 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Trypanosoma brucei heat shock protein, putative 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Trypanosoma brucei heat shock protein 90, putative 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Trichomonas vaginalis heat shock protein, putative 0.0335 0.2019 0.655
Trypanosoma cruzi heat shock protein 90, putative 0.0335 0.2019 0.655
Brugia malayi heat shock protein 90 0.0421 0.3082 1
Trypanosoma brucei Heat shock protein 83, putative 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Treponema pallidum heat shock protein 90 0.0335 0.2019 0.5
Entamoeba histolytica heat shock protein 90, putative 0.0421 0.3082 1
Plasmodium vivax heat shock protein 86, putative 0.0421 0.3082 1
Trypanosoma cruzi heat shock protein 85, putative 0.0421 0.3082 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0421 0.3082 1
Echinococcus granulosus heat shock protein 0.0421 0.3082 1
Echinococcus multilocularis heat shock protein 90 0.0421 0.3082 0.3082
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0335 0.2019 0.5
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0335 0.2019 0.5
Loa Loa (eye worm) heat shock protein 90 0.0421 0.3082 1
Trypanosoma brucei heat shock protein, putative 0.0421 0.3082 1
Trichomonas vaginalis heat shock protein, putative 0.0335 0.2019 0.655
Plasmodium falciparum heat shock protein 90 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Trichomonas vaginalis endoplasmin, putative 0.0258 0.1063 0.345
Trypanosoma brucei heat shock protein, putative 0.0421 0.3082 1
Toxoplasma gondii heat shock protein 90, putative 0.0421 0.3082 1
Plasmodium vivax endoplasmin, putative 0.0421 0.3082 1
Loa Loa (eye worm) endoplasmin 0.0421 0.3082 1
Echinococcus granulosus geminin 0.0205 0.0397 0.1289
Trichomonas vaginalis heat shock protein, putative 0.0421 0.3082 1
Trypanosoma cruzi heat shock protein 85, putative 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Trichomonas vaginalis heat shock protein, putative 0.0258 0.1063 0.345
Schistosoma mansoni heat shock protein 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Schistosoma mansoni endoplasmin 0.0421 0.3082 1
Trypanosoma cruzi heat shock protein 90, putative 0.0249 0.0942 0.3058
Echinococcus multilocularis endoplasmin 0.0335 0.2019 0.2019
Echinococcus multilocularis heat shock protein 0.0421 0.3082 0.3082
Schistosoma mansoni heat shock protein 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Entamoeba histolytica heat shock protein 90, putative 0.0421 0.3082 1
Trypanosoma cruzi heat shock protein 85, putative 0.0335 0.2019 0.655
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Trypanosoma brucei heat shock protein, putative 0.0421 0.3082 1
Mycobacterium ulcerans heat shock protein 90 0.0335 0.2019 0.5
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0335 0.2019 0.655
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0173 0 0.5
Trypanosoma cruzi heat shock protein 90, putative 0.0421 0.3082 1
Echinococcus multilocularis geminin 0.0205 0.0397 0.0397
Trypanosoma brucei heat shock protein, putative 0.0421 0.3082 1
Plasmodium falciparum endoplasmin, putative 0.0258 0.1063 0.345
Trypanosoma brucei heat shock protein, putative 0.0421 0.3082 1
Echinococcus multilocularis heat shock protein 90 0.0335 0.2019 0.2019
Trichomonas vaginalis heat shock protein, putative 0.0335 0.2019 0.655
Trypanosoma brucei heat shock protein 90, putative 0.0421 0.3082 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0335 0.2019 0.655
Schistosoma mansoni hypothetical protein 0.0205 0.0397 0.1289
Echinococcus granulosus heat shock protein 90 0.0421 0.3082 1
Trypanosoma brucei heat shock protein, putative 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Echinococcus granulosus endoplasmin 0.0335 0.2019 0.655
Trypanosoma cruzi heat shock protein 85, putative 0.0421 0.3082 1
Schistosoma mansoni hypothetical protein 0.0205 0.0397 0.1289
Echinococcus granulosus heat shock protein 90 0.0335 0.2019 0.655
Trypanosoma brucei heat shock protein, putative 0.0421 0.3082 1
Schistosoma mansoni endoplasmin 0.0421 0.3082 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0421 0.3082 1
Brugia malayi Endoplasmin precursor 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Leishmania major heat shock protein 83-1 0.0421 0.3082 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0335 0.2019 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 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 (functional) 7.9433 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.575 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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