Detailed information for compound 1543462

Basic information

Technical information
  • TDR Targets ID: 1543462
  • Name: 1-(4-chlorophenyl)-5-oxo-N-(oxolan-2-ylmethyl )pyrrolidine-3-carboxamide
  • MW: 322.787 | Formula: C16H19ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 1.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC(=O)N(C1)c1ccc(cc1)Cl)NCC1CCCO1
  • InChi: 1S/C16H19ClN2O3/c17-12-3-5-13(6-4-12)19-10-11(8-15(19)20)16(21)18-9-14-2-1-7-22-14/h3-6,11,14H,1-2,7-10H2,(H,18,21)
  • InChiKey: JAIDNQMECJBHDD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-chlorophenyl)-5-oxo-N-(tetrahydrofuran-2-ylmethyl)pyrrolidine-3-carboxamide
  • 1-(4-chlorophenyl)-5-oxo-N-(2-tetrahydrofuranylmethyl)-3-pyrrolidinecarboxamide
  • 1-(4-chlorophenyl)-5-keto-N-(tetrahydrofurfuryl)pyrrolidine-3-carboxamide
  • BAS 10429429
  • ST063985

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0048 0.0126 0.0059
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.012 0.0454
Brugia malayi Ets-domain containing protein 0.0087 0.047 0.0405
Onchocerca volvulus 0.1183 1 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0048 0.0126 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0233 0.0203
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.047 0.044
Loa Loa (eye worm) hypothetical protein 0.0047 0.012 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.012 0.0454
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0048 0.0126 0.5
Plasmodium falciparum ornithine aminotransferase 0.0048 0.0126 0.5
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0337 0.2641 1
Brugia malayi chromobox protein homolog 3 0.0047 0.012 0.0053
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0233 0.0167
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0151 0.0572
Brugia malayi Ets-domain containing protein 0.0087 0.047 0.0405
Loa Loa (eye worm) hypothetical protein 0.006 0.0233 0.0203
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0048 0.0126 0.5
Mycobacterium ulcerans hypothetical protein 0.0337 0.2641 1
Echinococcus granulosus chromobox protein 1 0.0084 0.0441 0.2312
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0337 0.2641 1
Schistosoma mansoni hypothetical protein 0.0205 0.149 0.7287
Loa Loa (eye worm) hypothetical protein 0.0075 0.036 0.033
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.047 0.2523
Brugia malayi Heterochromatin protein 1 0.0084 0.0441 0.0376
Loa Loa (eye worm) fli-1 protein 0.0265 0.2019 0.1994
Schistosoma mansoni chromobox protein 0.0084 0.0441 0.1916
Echinococcus multilocularis chromobox protein 1 0.0084 0.0441 0.2312
Echinococcus granulosus chromobox protein 1 0.0084 0.0441 0.2312
Echinococcus granulosus geminin 0.0205 0.149 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0441 0.1671
Loa Loa (eye worm) pax transcription factor protein 2 0.1183 1 1
Echinococcus multilocularis geminin 0.0205 0.149 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0068 0.0036
Brugia malayi Fli-1 protein 0.0265 0.2019 0.1965
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0048 0.0126 0.0301
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0151 0.0572
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0441 0.1671
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0151 0.012
Echinococcus multilocularis chromobox protein 1 0.0084 0.0441 0.2312
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.047 0.2523
Plasmodium vivax ornithine aminotransferase, putative 0.0048 0.0126 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.149 0.7287
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.012 0.0089
Schistosoma mansoni chromobox protein 0.0084 0.0441 0.1916
Schistosoma mansoni ets-related 0.0265 0.2019 1
Schistosoma mansoni gabp alpha 0.0087 0.047 0.2064
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0337 0.2641 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0233 0.0167
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0337 0.2641 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0441 0.0412
Mycobacterium tuberculosis Probable aminotransferase 0.0337 0.2641 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0024 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.13 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) 6.3096 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
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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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