Detailed information for compound 1562133

Basic information

Technical information
  • TDR Targets ID: 1562133
  • Name: N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-ox opyrrolidine-3-carboxamide
  • MW: 351.399 | Formula: C20H21N3O3
  • H donors: 2 H acceptors: 3 LogP: 1.37 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc(c1)NC(=O)C1CC(=O)N(C1)c1ccc(cc1)C
  • InChi: 1S/C20H21N3O3/c1-13-6-8-18(9-7-13)23-12-15(10-19(23)25)20(26)22-17-5-3-4-16(11-17)21-14(2)24/h3-9,11,15H,10,12H2,1-2H3,(H,21,24)(H,22,26)
  • InChiKey: SNNQEAKCEAKGQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxo-pyrrolidine-3-carboxamide
  • N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
  • N-(3-acetamidophenyl)-5-keto-1-(4-methylphenyl)pyrrolidine-3-carboxamide
  • MLS000050830
  • N-[3-(acetylamino)phenyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
  • SMR000078498

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0287 0.0287
Echinococcus multilocularis muscleblind protein 0.0169 0.6135 0.6104
Schistosoma mansoni hypothetical protein 0.0018 0.0207 0.0787
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0287 0.0207
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0207 0.0207
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1676 0.1607
Mycobacterium ulcerans aldehyde dehydrogenase 0.0051 0.1491 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0287 0.0287
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0287 0.0207
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0022 0.0367 0.0367
Schistosoma mansoni aldehyde dehydrogenase 0.0051 0.1491 0.884
Echinococcus multilocularis lamin dm0 0.0023 0.0427 0.0349
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0287 0.0287
Mycobacterium ulcerans aldehyde dehydrogenase 0.0051 0.1491 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0411 0.0411
Echinococcus multilocularis muscleblind protein 1 0.0169 0.6135 0.6104
Schistosoma mansoni aldehyde dehydrogenase 0.0051 0.1491 0.884
Onchocerca volvulus Bile acid receptor homolog 0.0188 0.6887 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0287 0.0287
Schistosoma mansoni coup transcription factor 0.002 0.0287 0.1287
Loa Loa (eye worm) RNA binding protein 0.0055 0.1669 0.1669
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0287 0.0287
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0367 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0287 0.0287
Echinococcus multilocularis tar DNA binding protein 0.0055 0.1669 0.1601
Schistosoma mansoni hypothetical protein 0.0018 0.0207 0.0787
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0287 0.0207
Loa Loa (eye worm) hypothetical protein 0.002 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0039 0.1019 0.1019
Onchocerca volvulus 0.0023 0.0427 0.0213
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0287 0.0207
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0287 0.0207
Loa Loa (eye worm) hypothetical protein 0.002 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.002 0.0287 0.0287
Brugia malayi hypothetical protein 0.0022 0.0367 0.0367
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0287 0.0207
Brugia malayi nuclear receptor NHR-88 0.002 0.0287 0.0287
Brugia malayi hypothetical protein 0.0015 0.0081 0.0081
Echinococcus granulosus intermediate filament protein 0.0023 0.0427 0.0349
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0287 0.0287
Brugia malayi hypothetical protein 0.0014 0.0062 0.0062
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0051 0.1491 0.1421
Onchocerca volvulus 0.0023 0.0427 0.0213
Schistosoma mansoni hypothetical protein 0.0018 0.0207 0.0787
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0287 0.0287
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0287 0.0207
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1719 0.1719
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0287 0.0287
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0055 0.1669 0.1669
Loa Loa (eye worm) hypothetical protein 0.0015 0.0081 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0287 0.0287
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0367 0.5
Schistosoma mansoni hypothetical protein 0.0039 0.1019 0.5882
Schistosoma mansoni tar DNA-binding protein 0.0055 0.1669 0.9958
Echinococcus granulosus muscleblind protein 0.0169 0.6135 0.6104
Echinococcus multilocularis lamin 0.0023 0.0427 0.0349
Echinococcus multilocularis survival motor neuron protein 1 0.0267 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0287 0.0287
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0051 0.1491 0.1421
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0207 0.0207
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0015 0.0081 0.0081
Schistosoma mansoni survival motor neuron protein 0.0055 0.1647 0.9821
Echinococcus granulosus FTZ F1 alpha 0.002 0.0287 0.0207
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0287 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0056 0.1719 0.1719
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0287 0.0207
Loa Loa (eye worm) hypothetical protein 0.0018 0.0207 0.0207
Onchocerca volvulus 0.0055 0.1647 0.2061
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0023 0.0427 0.0427
Schistosoma mansoni lamin 0.0023 0.0427 0.217
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0367 0.5
Brugia malayi Muscleblind-like protein 0.0169 0.6135 0.6135
Loa Loa (eye worm) hypothetical protein 0.0015 0.0081 0.0081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1676 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1676 0.1607
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0207 0.0126
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0051 0.1491 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0287 0.0207
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0051 0.1491 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0015 0.0081 0.0081
Schistosoma mansoni thyroid hormone receptor 0.002 0.0287 0.1287
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0207 0.0126
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0287 0.0287
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0287 0.1287
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0287 0.1287
Echinococcus granulosus lamin dm0 0.0023 0.0427 0.0349
Loa Loa (eye worm) intermediate filament protein 0.0023 0.0427 0.0427
Brugia malayi intermediate filament protein 0.0023 0.0427 0.0427
Brugia malayi Intermediate filament tail domain containing protein 0.0023 0.0427 0.0427
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0287 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0287 0.0287
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1676 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0287 0.0207
Brugia malayi RNA binding protein 0.0055 0.1669 0.1669
Toxoplasma gondii aldehyde dehydrogenase 0.0051 0.1491 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0287 0.0287
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0287 0.1287
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0287 0.0207
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0287 0.0287
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0287 0.0207
Schistosoma mansoni nuclear hormone receptor 0.002 0.0287 0.1287
Echinococcus granulosus survival motor neuron protein 1 0.0267 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0287 0.0207
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1676 0.1676
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.1647 0.1647
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0287 0.1287
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0287 0.0287
Schistosoma mansoni thyroid hormone receptor 0.002 0.0287 0.1287
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0207 0.0126
Echinococcus granulosus tar DNA binding protein 0.0055 0.1669 0.1601
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1676 0.1607
Loa Loa (eye worm) TAR-binding protein 0.0055 0.1669 0.1669
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0287 0.0207
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0287 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0287 0.0287
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0015 0.0081 0.0081
Echinococcus multilocularis GPCR, family 2 0.0018 0.0207 0.0126
Schistosoma mansoni hypothetical protein 0.0055 0.1647 0.9821
Schistosoma mansoni tar DNA-binding protein 0.0055 0.1669 0.9958
Schistosoma mansoni hypothetical protein 0.0018 0.0207 0.0787
Schistosoma mansoni tar DNA-binding protein 0.0055 0.1669 0.9958
Brugia malayi hypothetical protein 0.0015 0.0081 0.0081
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0287 0.0207
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0367 0.5
Schistosoma mansoni tar DNA-binding protein 0.0055 0.1669 0.9958
Loa Loa (eye worm) hypothetical protein 0.0169 0.6135 0.6135
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1719 0.1719
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0207 0.0126
Plasmodium vivax ataxin-2 like protein, putative 0.0022 0.0367 0.5
Brugia malayi ecdysteroid receptor 0.0188 0.6887 0.6887
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0287 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0287 0.0287
Mycobacterium ulcerans aldehyde dehydrogenase 0.0051 0.1491 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1019 0.1019
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1676 0.1676
Brugia malayi nuclear receptor RXR 0.0015 0.0081 0.0081
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1719 0.1719
Loa Loa (eye worm) hypothetical protein 0.0015 0.0081 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0287 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0287 0.0287
Echinococcus multilocularis musashi 0.0023 0.0427 0.0349
Echinococcus granulosus lamin 0.0023 0.0427 0.0349
Echinococcus granulosus GPCR family 2 0.0018 0.0207 0.0126
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0081 0.0081
Schistosoma mansoni intermediate filament proteins 0.0023 0.0427 0.217
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0287 0.1287
Loa Loa (eye worm) hypothetical protein 0.0267 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1676 0.1607
Brugia malayi TAR-binding protein 0.0055 0.1669 0.1669
Loa Loa (eye worm) hypothetical protein 0.0188 0.6887 0.6887
Schistosoma mansoni tar DNA-binding protein 0.0055 0.1669 0.9958
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0169 0.6135 0.6135
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0287 0.1287
Brugia malayi RNA recognition motif domain containing protein 0.0055 0.1669 0.1669
Brugia malayi nuclear hormone receptor 0.002 0.0287 0.0287
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0367 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0287 0.1287
Schistosoma mansoni lamin 0.0023 0.0427 0.217
Loa Loa (eye worm) hypothetical protein 0.0023 0.0427 0.0427
Brugia malayi steroid hormone receptor 0.002 0.0287 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0287 0.0287
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1676 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0287 0.1287
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0287 0.0207
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0287 0.1287
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0287 0.0207

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 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
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.