Detailed information for compound 1552517

Basic information

Technical information
  • TDR Targets ID: 1552517
  • Name: N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfon yl-5-oxopyrrolidine-2-carboxamide
  • MW: 362.4 | Formula: C17H18N2O5S
  • H donors: 1 H acceptors: 4 LogP: 1.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCC(=O)N1S(=O)(=O)c1ccc(cc1)C)NCc1ccco1
  • InChi: 1S/C17H18N2O5S/c1-12-4-6-14(7-5-12)25(22,23)19-15(8-9-16(19)20)17(21)18-11-13-3-2-10-24-13/h2-7,10,15H,8-9,11H2,1H3,(H,18,21)
  • InChiKey: YOVKRFXYSRZLTJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-furylmethyl)-1-(4-methylphenyl)sulfonyl-5-oxo-pyrrolidine-2-carboxamide
  • N-(2-furylmethyl)-1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinecarboxamide
  • N-(2-furylmethyl)-5-keto-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide
  • N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-5-oxo-pyrrolidine-2-carboxamide
  • MLS000050157
  • N-(2-furylmethyl)-1-[(4-methylphenyl)sulfonyl]-5-oxoprolinamide
  • SMR000077264
  • BAS 08979946
  • STK182155

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) hypothetical protein 0.0022 0.0236 0.0236
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0134 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0134 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0134 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0071 0.4487 0.4354
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.4513 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.3826 0.3677
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Brugia malayi Cytochrome P450 family protein 0.003 0.0898 0.0898
Echinococcus granulosus Nuclear hormone receptor HR96 0.0063 0.3826 0.3677
Echinococcus multilocularis nuclear receptor nhr 48 0.0063 0.3826 0.3677
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0134 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0134 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0134 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0063 0.3826 0.3677
Loa Loa (eye worm) nuclear receptor NHR-67 0.0063 0.3826 0.3826
Loa Loa (eye worm) hypothetical protein 0.0071 0.4487 0.4487
Brugia malayi nuclear hormone receptor 0.0134 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0071 0.4487 0.4354
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0022 0.0236 0.0236
Brugia malayi Steroid receptor seven-up type 2 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Brugia malayi hypothetical protein 0.0063 0.3826 0.3826
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.5559 0.5452
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.5559 0.5452
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0071 0.4487 0.4354
Brugia malayi ecdysone receptor 0.0063 0.3826 0.3826
Onchocerca volvulus Protein ultraspiracle homolog 0.0134 1 1
Brugia malayi hypothetical protein 0.0071 0.4487 0.4487
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0071 0.4487 0.4487
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0134 1 1
Schistosoma mansoni thyroid hormone receptor 0.0134 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0134 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.4513 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Brugia malayi steroid hormone receptor 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0134 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0063 0.3826 0.3677
Brugia malayi nuclear receptor RXR 0.0063 0.3826 0.3826
Schistosoma mansoni RAR-like nuclear receptor 0.0134 1 1
Brugia malayi hypothetical protein 0.0063 0.3826 0.3826
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.4487 0.4487
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Echinococcus granulosus nuclear receptor nhr 48 0.0063 0.3826 0.3677
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0134 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0134 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0071 0.4487 0.4487
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0076 0.4949 0.4949
Leishmania major cytochrome p450-like protein 0.0019 0 0.5
Brugia malayi Nuclear hormone receptor E75 0.0063 0.3826 0.3826
Schistosoma mansoni nuclear hormone receptor 0.0063 0.3826 0.3677
Brugia malayi nuclear hormone receptor family member nhr-6 0.0063 0.3826 0.3826
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.4487 0.4487
Brugia malayi Nuclear hormone receptor E75 0.0063 0.3826 0.3826
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0134 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0134 1 1
Schistosoma mansoni zinc finger protein 0.0063 0.3826 0.3677
Schistosoma mansoni nuclear hormone receptor 0.0063 0.3826 0.3677
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0134 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0134 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0898 0.0898
Loa Loa (eye worm) nuclear hormone receptor 0.0063 0.3826 0.3826
Loa Loa (eye worm) DR-78 0.0063 0.3826 0.3826
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0134 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0134 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0063 0.3826 0.3826
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0134 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0063 0.3826 0.3677
Schistosoma mansoni thyroid hormone receptor 0.0134 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.3826 0.3677
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Brugia malayi nuclear hormone receptor family member odr-7 0.0063 0.3826 0.3826
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Trypanosoma cruzi cytochrome P450, putative 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0063 0.3826 0.3677
Schistosoma mansoni coup transcription factor 0.0134 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0134 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0134 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0063 0.3826 0.3677
Schistosoma mansoni nuclear receptor 0.0063 0.3826 0.3677
Brugia malayi conserved hypotetical protein 0.0063 0.3826 0.3826
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.4487 0.4487
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0134 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Brugia malayi nuclear receptor NHR-88 0.0063 0.3826 0.3826
Echinococcus multilocularis thyroid hormone receptor alpha 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0063 0.3826 0.3826
Brugia malayi nuclear receptor NHR-88 0.0134 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0063 0.3826 0.3677
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0076 0.4949 0.4828
Brugia malayi Nuclear hormone receptor-like 1 0.0134 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0134 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0134 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0063 0.3826 0.3677
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0134 1 1
Brugia malayi nuclear receptor NHR-67 0.0063 0.3826 0.3826
Trypanosoma cruzi cytochrome P450, putative 0.0019 0 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0063 0.3826 0.3826
Schistosoma mansoni nuclear receptor nhr-48 0.0063 0.3826 0.3677
Schistosoma mansoni steroid hormone receptor ad4bp 0.0134 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0134 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0134 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0134 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0063 0.3826 0.3677
Schistosoma mansoni nuclear receptor 0.0063 0.3826 0.3677
Brugia malayi nuclear receptor RXR 0.0071 0.4487 0.4487
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0134 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Echinococcus granulosus FTZ F1 alpha 0.0134 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0134 1 1
Onchocerca volvulus 0.0134 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0134 1 1
Schistosoma mansoni nuclear hormone receptor 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3826 0.3826
Loa Loa (eye worm) hypothetical protein 0.0071 0.4487 0.4487
Brugia malayi Nuclear hormone receptor-like 1 0.0071 0.4487 0.4487
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0076 0.4949 0.4828
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0076 0.4949 0.4949
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0063 0.3826 0.3677
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0134 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0134 1 1
Brugia malayi nuclear hormone receptor 0.0063 0.3826 0.3826
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0134 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.4073 0.4073
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0071 0.4487 0.4354
Brugia malayi hypothetical protein 0.0071 0.4487 0.4487
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0134 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0134 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0134 1 1
Brugia malayi tailless protein 0.0063 0.3826 0.3826
Trypanosoma brucei cytochrome P450, putative 0.0019 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6611 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) 8.2753 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 Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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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