Detailed information for compound 1448052

Basic information

Technical information
  • TDR Targets ID: 1448052
  • Name: phenylmethyl 2-[(2-ethoxyphenyl)carbamoyl]pyr rolidine-1-carboxylate
  • MW: 368.426 | Formula: C21H24N2O4
  • H donors: 1 H acceptors: 2 LogP: 3.39 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)C1CCCN1C(=O)OCc1ccccc1
  • InChi: 1S/C21H24N2O4/c1-2-26-19-13-7-6-11-17(19)22-20(24)18-12-8-14-23(18)21(25)27-15-16-9-4-3-5-10-16/h3-7,9-11,13,18H,2,8,12,14-15H2,1H3,(H,22,24)
  • InChiKey: PUOZYYNZXQUOKR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[(2-ethoxyphenyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid phenylmethyl ester
  • 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester
  • SMR000033054
  • MLS000047043
  • Oprea1_324447

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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 endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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 endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
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
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 %
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 malate and lactate dehydrogenase, putative 0.0059 0.0576 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1144 0.1144
Echinococcus granulosus L lactate dehydrogenase 0.0093 0.1668 0.2182
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0532 0.0138
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1144 0.1482
Loa Loa (eye worm) hypothetical protein 0.0058 0.0532 0.069
Brugia malayi lactate dehydrogenase. 0.0152 0.3576 0.4633
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0059 0.0576 0.0746
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0532 0.0138
Echinococcus granulosus lactate dehydrogenase a 0.0152 0.3576 0.5614
Onchocerca volvulus 0.0058 0.0532 0.5
Toxoplasma gondii lactate dehydrogenase LDH2 0.0152 0.3576 0.5
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0059 0.0576 0.5
Loa Loa (eye worm) MBCTL1 0.0066 0.079 0.1024
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0532 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0532 0.0138
Echinococcus multilocularis lactate dehydrogenase a 0.0152 0.3576 0.5614
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Leishmania major malate dehydrogenase, putative 0.0152 0.3576 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0532 0.0532
Toxoplasma gondii malate dehydrogenase MDH 0.0152 0.3576 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.006 0.0616 0.0799
Loa Loa (eye worm) malate dehydrogenase 0.0059 0.0576 0.0746
Chlamydia trachomatis malate dehydrogenase 0.0059 0.0576 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0456 0.059
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0616 0.0799
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0059 0.0576 0.5
Echinococcus granulosus malate dehydrogenase 0.0059 0.0576 0.0217
Plasmodium vivax malate dehydrogenase, putative 0.0152 0.3576 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0456 0.0456
Giardia lamblia Malate dehydrogenase 0.0059 0.0576 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.079 0.1024
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0532 0.0138
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0059 0.0576 0.0746
Entamoeba histolytica malate dehydrogenase, putative 0.0152 0.3576 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0152 0.3576 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0456 0.0456
Schistosoma mansoni malate dehydrogenase 0.0059 0.0576 0.0576
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1144 0.1144
Brugia malayi mbt repeat family protein 0.0058 0.0532 0.069
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0059 0.0576 0.5
Trypanosoma brucei malate dehydrogenase-related 0.0059 0.0576 0.5
Echinococcus multilocularis malate dehydrogenase 0.0059 0.0576 0.0217
Brugia malayi TAR-binding protein 0.0076 0.1144 0.1482
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.6014 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0456 0.059
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.079 0.0602
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.079 0.1024
Plasmodium falciparum L-lactate dehydrogenase 0.0152 0.3576 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0059 0.0576 0.0217
Brugia malayi follicle stimulating hormone receptor 0.028 0.7719 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.3576 0.4633
Echinococcus multilocularis malate dehydrogenase 0.0059 0.0576 0.0217
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1144 0.1144
Schistosoma mansoni L-lactate dehydrogenase 0.0152 0.3576 0.3576
Echinococcus granulosus L lactate dehydrogenase B chain 0.0152 0.3576 0.5614
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0616 0.0799
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.079 0.0602
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0059 0.0576 0.0217
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.7719 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0059 0.0576 0.5
Echinococcus multilocularis L lactate dehydrogenase 0.0093 0.1668 0.2182
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1144 0.1482
Echinococcus multilocularis lactate dehydrogenase a 0.0152 0.3576 0.5614
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0532 0.0532
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0059 0.0576 0.5
Echinococcus granulosus cytosolic malate dehydrogenase 0.0059 0.0576 0.0217
Loa Loa (eye worm) RNA binding protein 0.0076 0.1144 0.1482
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0059 0.0576 0.0217
Trypanosoma cruzi malate dehydrogenase, putative 0.0059 0.0576 0.5
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0059 0.0576 0.5
Mycobacterium ulcerans malate dehydrogenase 0.0059 0.0576 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Toxoplasma gondii lactate dehydrogenase LDH1 0.0152 0.3576 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1144 0.1482
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0059 0.0576 0.5
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.079 0.0602
Loa Loa (eye worm) malate dehydrogenase 0.0059 0.0576 0.0746
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0616 0.0799
Schistosoma mansoni L-lactate dehydrogenase 0.0059 0.0576 0.0576
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0059 0.0576 0.5
Schistosoma mansoni malate dehydrogenase 0.0059 0.0576 0.0576
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0059 0.0576 0.5
Brugia malayi mbt repeat family protein 0.0058 0.0532 0.069
Echinococcus granulosus lactate dehydrogenase protein 0.0152 0.3576 0.5614
Schistosoma mansoni malate dehydrogenase 0.0152 0.3576 0.3576
Echinococcus granulosus malate dehydrogenase 0.0059 0.0576 0.0217
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.079 0.0602
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1144 0.1238
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Plasmodium falciparum malate dehydrogenase 0.0152 0.3576 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.6014 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1144 0.1144
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0059 0.0576 0.5
Plasmodium vivax lactate dehydrogenase 0.0152 0.3576 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Echinococcus multilocularis lactate dehydrogenase a 0.0152 0.3576 0.5614
Trypanosoma brucei glycosomal malate dehydrogenase 0.0059 0.0576 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.1144 0.1238
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.079 0.079
Trypanosoma brucei cytosolic malate dehydrogenase 0.0059 0.0576 0.5
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0059 0.0576 0.5
Brugia malayi RNA binding protein 0.0076 0.1144 0.1482
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0152 0.3576 0.5614
Echinococcus granulosus lactate dehydrogenase a 0.0152 0.3576 0.5614
Echinococcus multilocularis lactate dehydrogenase protein 0.0152 0.3576 0.5614
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0456 0.0456
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0532 0.069
Schistosoma mansoni malate dehydrogenase 0.0059 0.0576 0.0576
Trypanosoma cruzi malate dehydrogenase, putative 0.0059 0.0576 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0059 0.0576 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1144 0.1144

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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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