Detailed information for compound 1467550

Basic information

Technical information
  • TDR Targets ID: 1467550
  • Name: 1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl )methyl]-5-oxopyrrolidine-2-carboxamide
  • MW: 340.391 | Formula: C20H21FN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CNC(=O)C1CCC(=O)N1Cc1ccc(cc1)F
  • InChi: 1S/C20H21FN2O2/c1-14-2-4-15(5-3-14)12-22-20(25)18-10-11-19(24)23(18)13-16-6-8-17(21)9-7-16/h2-9,18H,10-13H2,1H3,(H,22,25)
  • InChiKey: RFVKYDVZUFFTPZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-pyrrolidine-2-carboxamide
  • 1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-oxo-2-pyrrolidinecarboxamide
  • 1-(4-fluorobenzyl)-5-keto-N-(4-methylbenzyl)pyrrolidine-2-carboxamide
  • EU-0064853

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
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, 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 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0237 0 0.5
Leishmania major hypothetical protein, conserved 0.0237 0 0.5
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0237 0 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0237 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Leishmania major cAMP-specific phosphodiesterase, putative 0.0237 0 0.5
Plasmodium falciparum phosphodiesterase gamma, putative 0.0237 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0237 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0237 0 0.5
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0237 0 0.5
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0237 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0237 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2934 0.9193 0.9193
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.3171 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0237 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0237 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Giardia lamblia hypothetical protein 0.0237 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0237 0 0.5
Leishmania major hypothetical protein, conserved 0.0237 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2934 0.9193 0.9193
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0237 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0237 0 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0237 0 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0237 0 0.5
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0237 0 0.5
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0237 0 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0237 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.3171 1 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0237 0 0.5
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0237 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0237 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0237 0 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0237 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0237 0 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Plasmodium vivax phosphodiesterase gamma, putative 0.0237 0 0.5
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0237 0 0.5
Plasmodium falciparum phosphodiesterase delta, putative 0.0237 0 0.5
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0237 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2934 0.9193 0.9193
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0237 0 0.5
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0237 0 0.5
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0237 0 0.5
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0237 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0237 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Loa Loa (eye worm) hypothetical protein 0.3171 1 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0237 0 0.5
Giardia lamblia Hypothetical protein 0.0237 0 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0237 0 0.5
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0237 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0237 0 0.5
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0237 0 0.5
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0237 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 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) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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) 141.2538 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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.

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