Detailed information for compound 1387104

Basic information

Technical information
  • TDR Targets ID: 1387104
  • Name: 4-(phenylmethoxy)-1,5-dihydropyrrol-2-one
  • MW: 189.211 | Formula: C11H11NO2
  • H donors: 1 H acceptors: 1 LogP: 0.83 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCC(=C1)OCc1ccccc1
  • InChi: 1S/C11H11NO2/c13-11-6-10(7-12-11)14-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,12,13)
  • InChiKey: FIPLVTFTJOOADU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(benzyloxy)-3-pyrrolin-2-one
  • SMR000019257
  • ChemDiv2_000034
  • ZINC02473866
  • ST5412050
  • 4-(benzyloxy)-1,5-dihydro-2H-pyrrol-2-one
  • MLS000084911
  • EU-0035687

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0186 0.1317 0.4388
Schistosoma mansoni tripartite motif protein trim9 0.0186 0.1317 0.1369
Echinococcus granulosus Fibronectin type III domain containing protein 0.0186 0.1317 0.1134
Schistosoma mansoni factor for adipocyte differentiation 0.0186 0.1317 0.1369
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0236 0.3002 0.2854
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Schistosoma mansoni titin 0.0236 0.3002 0.3447
Schistosoma mansoni nephrin 0.039 0.828 0.9956
Brugia malayi Lethal protein 805 0.0186 0.1317 0.1998
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Trypanosoma cruzi hypothetical protein, conserved 0.0186 0.1317 0.5
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0186 0.1317 0.1134
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0186 0.1317 0.1369
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0286 0.4723 0.7161
Onchocerca volvulus 0.0186 0.1317 0.4388
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0286 0.4723 0.4611
Loa Loa (eye worm) hypothetical protein 0.034 0.6595 1
Onchocerca volvulus 0.0186 0.1317 0.4388
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0186 0.1317 0.1369
Onchocerca volvulus 0.0186 0.1317 0.4388
Echinococcus multilocularis neuroglian 0.0286 0.4723 0.4611
Schistosoma mansoni protein tyrosine phosphatase 0.0186 0.1317 0.1369
Schistosoma mansoni ephrin receptor 0.0241 0.3195 0.3686
Echinococcus granulosus twitchin 0.0203 0.1892 0.172
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Echinococcus granulosus EG95 0.0186 0.1317 0.1134
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0241 0.3195 0.3052
Schistosoma mansoni hypothetical protein 0.0186 0.1317 0.1369
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Loa Loa (eye worm) hypothetical protein 0.0236 0.3002 0.4552
Brugia malayi Immunoglobulin I-set domain containing protein 0.0236 0.3002 0.4552
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0186 0.1317 0.1998
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0241 0.3195 0.3052
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0186 0.1317 0.1998
Onchocerca volvulus 0.0186 0.1317 0.4388
Echinococcus multilocularis transfer RNA-Phe 0.0236 0.3002 0.2854
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0186 0.1317 0.1134
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0186 0.1317 0.1998
Loa Loa (eye worm) UNCoordinated family member 0.0186 0.1317 0.1998
Loa Loa (eye worm) lethal protein 805 0.0186 0.1317 0.1998
Brugia malayi hypothetical protein 0.0186 0.1317 0.1998
Echinococcus granulosus G1Y162 protein 0.0186 0.1317 0.1134
Loa Loa (eye worm) hypothetical protein 0.0204 0.1928 0.2923
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0286 0.4723 0.5569
Schistosoma mansoni cell adhesion molecule 0.0286 0.4723 0.5569
Echinococcus granulosus titin 0.0236 0.3002 0.2854
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0186 0.1317 0.5
Schistosoma mansoni nephrin 0.0286 0.4723 0.5569
Echinococcus multilocularis anosmin 1 0.0186 0.1317 0.1134
Schistosoma mansoni titin 0.0236 0.3002 0.3447
Loa Loa (eye worm) hypothetical protein 0.0286 0.4723 0.7161
Leishmania major hypothetical protein, conserved 0.0186 0.1317 0.5
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0186 0.1317 0.1998
Echinococcus granulosus contactin 0.0286 0.4723 0.4611
Brugia malayi Protein-tyrosine phosphatase 0.0186 0.1317 0.1998
Echinococcus multilocularis Fibronectin, type III 0.0186 0.1317 0.1134
Brugia malayi SPRY domain containing protein 0.0186 0.1317 0.1998
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Schistosoma mansoni cell adhesion molecule 0.0236 0.3002 0.3447
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0186 0.1317 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0186 0.1317 0.1998
Brugia malayi Immunoglobulin I-set domain containing protein 0.0286 0.4723 0.7161
Brugia malayi Fibronectin type III domain containing protein 0.0186 0.1317 0.1998
Brugia malayi Immunoglobulin I-set domain containing protein 0.0236 0.3002 0.4552
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Echinococcus multilocularis roundabout 2 0.044 1 1
Loa Loa (eye worm) hypothetical protein 0.034 0.6595 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0286 0.4723 0.4611
Echinococcus multilocularis Netrin receptor DCC 0.0186 0.1317 0.1134
Echinococcus granulosus usherin 0.0186 0.1317 0.1134
Brugia malayi Immunoglobulin I-set domain containing protein 0.0237 0.3038 0.4606
Brugia malayi myotactin form B 0.0186 0.1317 0.1998
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0259 0.3806 0.5771
Brugia malayi Fibronectin type III domain containing protein 0.0186 0.1317 0.1998
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0186 0.1317 0.1134
Brugia malayi Immunoglobulin I-set domain containing protein 0.0259 0.3806 0.5771
Schistosoma mansoni hemicentin 0.0236 0.3002 0.3447
Echinococcus granulosus roundabout 2 0.0286 0.4723 0.4611
Echinococcus multilocularis usherin 0.0186 0.1317 0.1134
Schistosoma mansoni cell adhesion molecule 0.0391 0.8315 1
Echinococcus multilocularis anosmin 1 0.0186 0.1317 0.1134
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Schistosoma mansoni cell adhesion molecule 0.0236 0.3002 0.3447
Onchocerca volvulus 0.0236 0.3002 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0286 0.4723 0.4611
Schistosoma mansoni neuroglian 0.0286 0.4723 0.5569
Brugia malayi Immunoglobulin I-set domain containing protein 0.0286 0.4723 0.7161
Brugia malayi Immunoglobulin I-set domain containing protein 0.0236 0.3002 0.4552
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Echinococcus granulosus anosmin 1 0.0186 0.1317 0.1134
Schistosoma mansoni factor for adipocyte differentiation 0.0186 0.1317 0.1369
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0186 0.1317 0.5
Loa Loa (eye worm) myotactin form A 0.0186 0.1317 0.1998
Onchocerca volvulus 0.0186 0.1317 0.4388
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0186 0.1317 0.1998
Echinococcus granulosus anosmin 1 0.0186 0.1317 0.1134
Echinococcus granulosus neuroglian 0.0203 0.1892 0.172
Onchocerca volvulus 0.0186 0.1317 0.4388
Echinococcus granulosus titin 0.0236 0.3002 0.2854
Brugia malayi Fibronectin type III domain containing protein 0.0186 0.1317 0.1998
Brugia malayi hypothetical protein 0.034 0.6595 1
Schistosoma mansoni factor for adipocyte differentiation 0.0186 0.1317 0.1369
Echinococcus granulosus cell adhesion molecule 0.0186 0.1317 0.1134
Echinococcus granulosus roundabout 2 0.0286 0.4723 0.4611
Echinococcus granulosus neuroglian 0.0286 0.4723 0.4611
Brugia malayi Immunoglobulin I-set domain containing protein 0.0236 0.3002 0.4552
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0186 0.1317 0.1134
Echinococcus multilocularis Netrin receptor DCC 0.0186 0.1317 0.1134
Echinococcus granulosus Netrin receptor DCC 0.0186 0.1317 0.1134
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0236 0.3002 0.4552
Brugia malayi Fibronectin type III domain containing protein 0.0186 0.1317 0.1998
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0237 0.3038 0.2891
Loa Loa (eye worm) hypothetical protein 0.034 0.6595 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0186 0.1317 0.1134
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0186 0.1317 0.1134
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0237 0.3038 0.2891
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0236 0.3002 0.4552
Brugia malayi Lethal protein 805 0.0186 0.1317 0.1998
Onchocerca volvulus 0.0186 0.1317 0.4388
Schistosoma mansoni cell adhesion molecule 0.0286 0.4723 0.5569
Brugia malayi Immunoglobulin I-set domain containing protein 0.0236 0.3002 0.4552
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0186 0.1317 0.1369
Echinococcus multilocularis roundabout 2 0.0286 0.4723 0.4611
Brugia malayi Immunoglobulin I-set domain containing protein 0.0236 0.3002 0.4552
Brugia malayi Fibronectin type III domain containing protein 0.034 0.6595 1
Schistosoma mansoni myosin-binding protein-related 0.0236 0.3002 0.3447
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0204 0.1928 0.1757
Echinococcus multilocularis neuroglian 0.0203 0.1892 0.172
Echinococcus multilocularis cell adhesion molecule 0.0186 0.1317 0.1134
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0286 0.4723 0.4611
Echinococcus granulosus fibronectin type III domain-containing protein 0.0186 0.1317 0.1134
Loa Loa (eye worm) hypothetical protein 0.0253 0.3612 0.5478
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0286 0.4723 0.7161
Loa Loa (eye worm) hypothetical protein 0.0253 0.3612 0.5478
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0236 0.3002 0.4552
Schistosoma mansoni tyrosine kinase 0.0154 0.0213 0.0007
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0186 0.1317 0.1134
Onchocerca volvulus 0.0186 0.1317 0.4388
Loa Loa (eye worm) hypothetical protein 0.0154 0.0207 0.0314
Schistosoma mansoni serine/threonine protein kinase 0.0236 0.3002 0.3447
Schistosoma mansoni titin 0.0186 0.1317 0.1369
Brugia malayi Immunoglobulin I-set domain containing protein 0.0286 0.4723 0.7161
Brugia malayi Immunoglobulin I-set domain containing protein 0.034 0.6595 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.0207 0.0314
Brugia malayi Immunoglobulin I-set domain containing protein 0.0236 0.3002 0.4552
Echinococcus multilocularis titin 0.0186 0.1317 0.1134
Echinococcus multilocularis anosmin 1 0.0186 0.1317 0.1134
Loa Loa (eye worm) hypothetical protein 0.0236 0.3002 0.4552
Onchocerca volvulus 0.0236 0.3002 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0186 0.1317 0.1134
Loa Loa (eye worm) CAMK protein kinase 0.0236 0.3002 0.4552
Schistosoma mansoni hypothetical protein 0.0186 0.1317 0.1369
Loa Loa (eye worm) projectin 0.0236 0.3002 0.4552
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0236 0.3002 0.4552
Echinococcus granulosus Fibronectin type III 0.0186 0.1317 0.1134
Brugia malayi Fibronectin type III domain containing protein 0.0186 0.1317 0.1998
Echinococcus granulosus Netrin receptor DCC 0.0186 0.1317 0.1134
Onchocerca volvulus 0.0186 0.1317 0.4388
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0237 0.3038 0.4606
Loa Loa (eye worm) hypothetical protein 0.0154 0.0207 0.0314
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0186 0.1317 0.1998
Schistosoma mansoni hypothetical protein 0.0236 0.3002 0.3447
Echinococcus multilocularis titin 0.0236 0.3002 0.2854
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0186 0.1317 0.1369
Echinococcus granulosus nephrin 0.0236 0.3002 0.2854
Brugia malayi protein unc-22 0.0236 0.3002 0.4552
Echinococcus multilocularis roundabout 2 0.0286 0.4723 0.4611
Brugia malayi myotactin form A 0.0186 0.1317 0.1998
Echinococcus granulosus anosmin 1 0.0186 0.1317 0.1134
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0286 0.4723 0.4611
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0186 0.1317 0.1134
Onchocerca volvulus 0.0186 0.1317 0.4388
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998
Onchocerca volvulus 0.0236 0.3002 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0186 0.1317 0.1134
Loa Loa (eye worm) hypothetical protein 0.0186 0.1317 0.1998

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0828 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) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

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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