Detailed information for compound 1201585

Basic information

Technical information
  • TDR Targets ID: 1201585
  • Name: N-(2,3-dimethylphenyl)-5-oxo-3-phenylpyrrolid ine-2-carboxamide
  • MW: 308.374 | Formula: C19H20N2O2
  • H donors: 2 H acceptors: 2 LogP: 2.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(C(N1)C(=O)Nc1cccc(c1C)C)c1ccccc1
  • InChi: 1S/C19H20N2O2/c1-12-7-6-10-16(13(12)2)20-19(23)18-15(11-17(22)21-18)14-8-4-3-5-9-14/h3-10,15,18H,11H2,1-2H3,(H,20,23)(H,21,22)
  • InChiKey: QOHAOSJBKPCKFH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,3-dimethylphenyl)-5-oxo-3-phenyl-pyrrolidine-2-carboxamide
  • N-(2,3-dimethylphenyl)-5-oxo-3-phenyl-2-pyrrolidinecarboxamide
  • N-(2,3-dimethylphenyl)-5-keto-3-phenyl-pyrrolidine-2-carboxamide
  • ChemDiv2_002819
  • MLS000522427
  • SMR000127694

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
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 japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs 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 GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.4951 0.4159
Brugia malayi Augmenter of liver regeneration 0.0038 0.2455 0.1271
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0038 0.2455 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4951 0.6206
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0038 0.2455 0.3335
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0038 0.2455 0.5
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0038 0.2455 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0947 0.1287
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.736 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.4951 0.6727
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4951 0.6206
Schistosoma mansoni bromodomain containing protein 0.0076 0.7978 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.4417 0.4769
Loa Loa (eye worm) hypothetical protein 0.0049 0.4087 0.4413
Toxoplasma gondii Erv1 / Alr family protein 0.0038 0.2455 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4951 0.6206
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0038 0.2455 0.5
Brugia malayi Bromodomain containing protein 0.0046 0.3667 0.2673
Loa Loa (eye worm) hepatopoietin HPO2 0.0038 0.2455 0.265
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0038 0.2455 0.5
Leishmania major hypothetical protein, conserved 0.0038 0.2455 0.5
Echinococcus granulosus zinc finger protein 0.0024 0.0435 0.0592
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0038 0.2455 0.3335
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.4951 0.5346
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0947 0.1287
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3258 0.4427
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0618 0.0667
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.4951 0.6727
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0038 0.2455 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.3679 0.3972
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0947 0.1188
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.4951 0.6727
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0106 0.0114
Echinococcus multilocularis zinc finger protein 0.0024 0.0435 0.0592
Toxoplasma gondii Erv1 / Alr family protein 0.0038 0.2455 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.736 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.4951 0.6727
Schistosoma mansoni hypothetical protein 0.0025 0.0618 0.0774
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3258 0.4427
Loa Loa (eye worm) hypothetical protein 0.0085 0.9262 1
Schistosoma mansoni zinc finger protein 0.0024 0.0435 0.0546

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 7.9433 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) 9.285 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 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

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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