Detailed information for compound 1553858

Basic information

Technical information
  • TDR Targets ID: 1553858
  • Name: N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2 -thiophen-2-ylacetamide
  • MW: 318.366 | Formula: C16H15FN2O2S
  • H donors: 1 H acceptors: 2 LogP: 1.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1cccs1)NC1CC(=O)N(C1)c1cccc(c1)F
  • InChi: 1S/C16H15FN2O2S/c17-11-3-1-4-13(7-11)19-10-12(8-16(19)21)18-15(20)9-14-5-2-6-22-14/h1-7,12H,8-10H2,(H,18,20)
  • InChiKey: FTXIKXXCCPRZBO-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[1-(3-fluorophenyl)-5-oxo-pyrrolidin-3-yl]-2-(2-thienyl)acetamide
  • N-[1-(3-fluorophenyl)-5-oxo-3-pyrrolidinyl]-2-(2-thienyl)acetamide
  • N-[1-(3-fluorophenyl)-5-keto-pyrrolidin-3-yl]-2-(2-thienyl)acetamide
  • N-[1-(3-fluorophenyl)-5-oxo-pyrrolidin-3-yl]-2-thiophen-2-yl-ethanamide
  • G856-7477
  • NCGC00136610-01

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
Trichomonas vaginalis spcc417.12 protein, putative 0.0091 0.037 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0124 0.0592
Mycobacterium ulcerans carboxylesterase, LipT 0.0091 0.037 0.4503
Echinococcus multilocularis acetylcholinesterase 0.0536 0.3167 0.3167
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0026 0.0081
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0025 0.0025
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.1232 1
Entamoeba histolytica hypothetical protein 0.0036 0.0025 0.5
Schistosoma mansoni gliotactin 0.0091 0.037 0.1169
Brugia malayi Cytochrome P450 family protein 0.0053 0.0135 0.0426
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0025 0.0079
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.168 1
Echinococcus granulosus carboxylesterase 5A 0.0536 0.3167 1
Toxoplasma gondii hypothetical protein 0.0048 0.0105 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0091 0.037 0.037
Onchocerca volvulus 0.0091 0.037 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.037 0.1169
Entamoeba histolytica hypothetical protein 0.0036 0.0025 0.5
Loa Loa (eye worm) beta-lactamase 0.0036 0.0026 0.0081
Brugia malayi Carboxylesterase family protein 0.0091 0.037 0.1169
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0081
Loa Loa (eye worm) hypothetical protein 0.0091 0.037 0.1169
Loa Loa (eye worm) hypothetical protein 0.01 0.0429 0.1353
Loa Loa (eye worm) hypothetical protein 0.0091 0.037 0.1169
Loa Loa (eye worm) hypothetical protein 0.0068 0.023 0.0727
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0691 0.402
Brugia malayi beta-lactamase family protein 0.0036 0.0026 0.0081
Echinococcus granulosus geminin 0.0522 0.308 0.9728
Brugia malayi Carboxylesterase family protein 0.0091 0.037 0.1169
Onchocerca volvulus 0.0091 0.037 1
Loa Loa (eye worm) hypothetical protein 0.0472 0.2767 0.8736
Loa Loa (eye worm) acetylcholinesterase 1 0.0536 0.3167 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0091 0.037 0.1169
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0091 0.037 0.2856
Echinococcus multilocularis acetylcholinesterase 0.0536 0.3167 0.3167
Echinococcus granulosus neuroligin 0.0091 0.037 0.1169
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0429 0.1353
Mycobacterium leprae Probable lipase LipE 0.0036 0.0026 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0091 0.037 0.1169
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0091 0.037 0.2856
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0691 0.402
Schistosoma mansoni hypothetical protein 0.0068 0.023 0.0727
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0026 0.0081
Echinococcus multilocularis muscleblind protein 1 0.0472 0.2767 0.2767
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.0691 0.402
Schistosoma mansoni hypothetical protein 0.0036 0.0025 0.0079
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0026 0.0081
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0429 0.1353
Brugia malayi Carboxylesterase family protein 0.0091 0.037 0.1169
Echinococcus granulosus acetylcholinesterase 0.0536 0.3167 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0081
Brugia malayi Carboxylesterase family protein 0.0091 0.037 0.1169
Loa Loa (eye worm) hypothetical protein 0.0091 0.037 0.1169
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0091 0.037 0.037
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0091 0.037 0.1169
Echinococcus granulosus acetylcholinesterase 0.0536 0.3167 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.037 0.1169
Brugia malayi hypothetical protein 0.0091 0.037 0.1169
Schistosoma mansoni neuroligin 3 (S09 family) 0.0091 0.037 0.1169
Echinococcus granulosus para nitrobenzyl esterase 0.0091 0.037 0.1169
Schistosoma mansoni hypothetical protein 0.0522 0.308 0.9728
Loa Loa (eye worm) hypothetical protein 0.0091 0.037 0.1169
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0026 0.0081
Brugia malayi Muscleblind-like protein 0.0472 0.2767 0.8736
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.0135 0.0426
Loa Loa (eye worm) carboxylesterase 0.0091 0.037 0.1169
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.023 0.0727
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0081
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0536 0.3167 1
Onchocerca volvulus 0.0091 0.037 1
Schistosoma mansoni hypothetical protein 0.0522 0.308 0.9728
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0429 0.1353
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.168 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.0791 0.6343
Mycobacterium ulcerans hypothetical protein 0.0157 0.0791 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0091 0.037 0.1169
Echinococcus granulosus BC026374 protein S09 family 0.0091 0.037 0.1169
Loa Loa (eye worm) hypothetical protein 0.0536 0.3167 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0081
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.168 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0081
Loa Loa (eye worm) hypothetical protein 0.0091 0.037 0.1169
Echinococcus granulosus muscleblind protein 0.0472 0.2767 0.8736
Loa Loa (eye worm) carboxylesterase 0.0091 0.037 0.1169
Brugia malayi beta-lactamase 0.0036 0.0026 0.0081
Brugia malayi Carboxylesterase family protein 0.0536 0.3167 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0066 0.0243
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.168 1
Entamoeba histolytica hypothetical protein 0.0036 0.0025 0.5
Loa Loa (eye worm) hypothetical protein 0.0472 0.2767 0.8736
Schistosoma mansoni BC026374 protein (S09 family) 0.0091 0.037 0.1169
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0081
Entamoeba histolytica hypothetical protein 0.0036 0.0025 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0026 0.0081
Echinococcus multilocularis carboxylesterase 5A 0.0536 0.3167 0.3167
Loa Loa (eye worm) hypothetical protein 0.0536 0.3167 1
Brugia malayi beta-lactamase family protein 0.0036 0.0026 0.0081
Loa Loa (eye worm) carboxylesterase 0.0536 0.3167 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0066 0.0243
Echinococcus multilocularis BC026374 protein (S09 family) 0.0091 0.037 0.037
Echinococcus multilocularis geminin 0.0522 0.308 0.308
Brugia malayi Carboxylesterase family protein 0.0536 0.3167 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0026 0.0026
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0066 0.0243
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0025 0.0079
Mycobacterium tuberculosis Carboxylesterase LipT 0.0091 0.037 0.2856
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0091 0.037 1
Schistosoma mansoni acetylcholinesterase 0.0091 0.037 0.1169
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0066 0.0243
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0026 0.5
Echinococcus multilocularis neuroligin 0.0091 0.037 0.037
Onchocerca volvulus 0.0091 0.037 1
Onchocerca volvulus 0.0091 0.037 1
Echinococcus multilocularis muscleblind protein 0.0472 0.2767 0.2767
Brugia malayi hypothetical protein 0.0036 0.0025 0.0079
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0026 0.5

Activities

Activity type Activity value Assay description Source 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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