Detailed information for compound 1356383

Basic information

Technical information
  • TDR Targets ID: 1356383
  • Name: 1-methyl-6-naphthalen-2-yl-4-phenyl-4,7-dihyd ro-3H-pyrrolo[3,4-e]pyrimidine-2,5-dione
  • MW: 369.416 | Formula: C23H19N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.82 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1C(=O)NC(C2=C1CN(C2=O)c1ccc2c(c1)cccc2)c1ccccc1
  • InChi: 1S/C23H19N3O2/c1-25-19-14-26(18-12-11-15-7-5-6-10-17(15)13-18)22(27)20(19)21(24-23(25)28)16-8-3-2-4-9-16/h2-13,21H,14H2,1H3,(H,24,28)
  • InChiKey: MXWAWWNLVBWJKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-methyl-6-(2-naphthyl)-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-e]pyrimidine-2,5-dione
  • 1-methyl-6-(2-naphthyl)-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-e]pyrimidine-2,5-quinone
  • STOCK1S-57348
  • 1-Methyl-6-naphthalen-2-yl-4-phenyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
  • MLS000554682
  • SMR000146799

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1904 0.1904
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.577 0.4775
Onchocerca volvulus 0.0018 0.0521 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0018 0.0521 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.1904 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1904 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1904 0.1904
Echinococcus granulosus dna polymerase kappa 0.0023 0.1904 0.1458
Onchocerca volvulus 0.0018 0.0521 0.5
Onchocerca volvulus 0.0018 0.0521 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1904 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1904 0.1904
Trypanosoma brucei unspecified product 0.0023 0.1904 0.1904
Onchocerca volvulus 0.0018 0.0521 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1904 0.1904
Schistosoma mansoni DNA polymerase eta 0.0054 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1904 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0054 1 1
Onchocerca volvulus 0.0018 0.0521 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1904 0.5
Onchocerca volvulus 0.0018 0.0521 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1904 0.1904
Onchocerca volvulus 0.0018 0.0521 0.5
Onchocerca volvulus 0.0018 0.0521 0.5
Leishmania major DNA polymerase eta, putative 0.0054 1 1
Onchocerca volvulus 0.0018 0.0521 0.5
Leishmania major DNA polymerase eta, putative 0.0038 0.577 0.4775
Echinococcus multilocularis dna polymerase eta 0.0054 1 1
Onchocerca volvulus 0.0018 0.0521 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1904 0.1458
Onchocerca volvulus 0.0018 0.0521 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1904 0.1904
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1904 0.1458
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1904 0.1458
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1904 0.5
Onchocerca volvulus 0.0018 0.0521 0.5
Echinococcus granulosus dna polymerase eta 0.0054 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1904 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.577 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1904 0.1458
Onchocerca volvulus 0.0018 0.0521 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1904 0.5
Onchocerca volvulus 0.0018 0.0521 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1904 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1904 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1904 0.1904
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1904 0.1458
Onchocerca volvulus 0.0018 0.0521 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1904 0.1458
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1904 0.1458
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1904 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1904 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1904 0.1904
Onchocerca volvulus 0.0018 0.0521 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0018 0.0521 0.5
Onchocerca volvulus 0.0018 0.0521 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1904 0.1904

Activities

Activity type Activity value Assay description Source 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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
Potency (functional) = 44.5625 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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