Detailed information for compound 1409082

Basic information

Technical information
  • TDR Targets ID: 1409082
  • Name: N-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-N-me thyl-4-pyrrolidin-1-ylsulfonylbenzamide
  • MW: 419.47 | Formula: C20H22FN3O4S
  • H donors: 1 H acceptors: 4 LogP: 2.02 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1)C)Nc1cccc(c1)F
  • InChi: 1S/C20H22FN3O4S/c1-23(14-19(25)22-17-6-4-5-16(21)13-17)20(26)15-7-9-18(10-8-15)29(27,28)24-11-2-3-12-24/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,25)
  • InChiKey: ZTUKYCNBKKIPTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(3-fluorophenyl)amino]-2-oxo-ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-benzamide
  • N-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-N-methyl-4-1-pyrrolidinylsulfonylbenzamide
  • N-[2-[(3-fluorophenyl)amino]-2-keto-ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-benzamide
  • T5432033
  • ZINC06553398

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
Brugia malayi steroid hormone receptor 0.0548 0.4593 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0548 0.4593 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0548 0.4593 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0548 0.4593 0.5
Loa Loa (eye worm) hypothetical protein 0.0548 0.4593 1
Onchocerca volvulus Bile acid receptor homolog 0.0548 0.4593 1
Onchocerca volvulus 0.0548 0.4593 1
Loa Loa (eye worm) hypothetical protein 0.0548 0.4593 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0548 0.4593 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0548 0.4593 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0548 0.4593 1
Trypanosoma cruzi glutamine synthetase, putative 0.068 1 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0548 0.4593 0.5
Loa Loa (eye worm) hypothetical protein 0.0548 0.4593 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0548 0.4593 0.5
Toxoplasma gondii glutamine synthetase, type I, putative 0.0437 0 0.5
Brugia malayi ecdysteroid receptor 0.0548 0.4593 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0548 0.4593 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0548 0.4593 1
Plasmodium falciparum glutamine synthetase, putative 0.0437 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0548 0.4593 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0548 0.4593 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0548 0.4593 1
Brugia malayi nuclear receptor NHR-88 0.0548 0.4593 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0548 0.4593 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0548 0.4593 0.5
Trypanosoma brucei glutamine synthetase, putative 0.068 1 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0548 0.4593 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0548 0.4593 0.5
Loa Loa (eye worm) hypothetical protein 0.0548 0.4593 1
Loa Loa (eye worm) hypothetical protein 0.0548 0.4593 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0548 0.4593 0.5
Leishmania major glutamine synthetase, putative 0.068 1 0.5
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0437 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0548 0.4593 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0548 0.4593 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0548 0.4593 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0548 0.4593 0.5
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0437 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0548 0.4593 1
Echinococcus multilocularis glutamine synthetase 0.068 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0548 0.4593 1
Plasmodium vivax glutamine synthetase, putative 0.0437 0 0.5
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.068 1 1
Loa Loa (eye worm) hypothetical protein 0.0548 0.4593 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0548 0.4593 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0548 0.4593 1
Loa Loa (eye worm) hypothetical protein 0.0548 0.4593 1
Trypanosoma cruzi glutamine synthetase, putative 0.068 1 0.5
Brugia malayi nuclear hormone receptor 0.0548 0.4593 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0548 0.4593 1
Mycobacterium ulcerans glutamine synthetase 0.0437 0 0.5
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0437 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 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) 14.7157 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) 95.2834 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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