Detailed information for compound 1425349

Basic information

Technical information
  • TDR Targets ID: 1425349
  • Name: 3-(3-methoxyphenyl)-6-phenylthieno[3,2-e]pyri midin-4-one
  • MW: 334.392 | Formula: C19H14N2O2S
  • H donors: 0 H acceptors: 1 LogP: 4.09 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)n1cnc2c(c1=O)cc(s2)c1ccccc1
  • InChi: 1S/C19H14N2O2S/c1-23-15-9-5-8-14(10-15)21-12-20-18-16(19(21)22)11-17(24-18)13-6-3-2-4-7-13/h2-12H,1H3
  • InChiKey: VZTDVCPIGYMCFR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3-methoxyphenyl)-6-phenyl-thieno[3,2-e]pyrimidin-4-one
  • 3-(3-methoxyphenyl)-6-phenyl-4-thieno[3,2-e]pyrimidinone
  • Oprea1_778259
  • MLS000558389
  • SMR000178364
  • ZINC00798343
  • 3-(3-Methoxy-phenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
  • BAS 06106616

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
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
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
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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 chromosome transmission fidelity factor, putative 0.003 0.0361 0.5
Schistosoma mansoni tar DNA-binding protein 0.0133 0.6853 1
Brugia malayi RNA binding protein 0.0133 0.6853 0.6853
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.003 0.0361 0.5
Brugia malayi DKFZp564C0469 protein 0.003 0.0361 0.0361
Echinococcus multilocularis nibrin 0.003 0.0361 0.0526
Schistosoma mansoni hypothetical protein 0.0043 0.1214 0.1771
Onchocerca volvulus 0.003 0.0361 1
Toxoplasma gondii ATPase, AAA family protein 0.003 0.0361 0.5
Echinococcus granulosus nibrin 0.003 0.0361 0.0526
Echinococcus multilocularis tar DNA binding protein 0.0133 0.6853 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.4978 0.4978
Trypanosoma cruzi FHA domain containing protein, putative 0.003 0.0361 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.2917 0.2917
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0525 0.0525
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0525 0.0525
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.196 0.196
Schistosoma mansoni hypothetical protein 0.0033 0.0525 0.0766
Chlamydia trachomatis DNA ligase 0.003 0.0361 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0361 0.5
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.003 0.0361 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0361 0.0361
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0361 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.196 0.286
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.196 0.286
Schistosoma mansoni tar DNA-binding protein 0.0133 0.6853 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0525 0.0766
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1214 0.1771
Brugia malayi RNA recognition motif domain containing protein 0.0133 0.6853 0.6853
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1214 0.1771
Loa Loa (eye worm) hypothetical protein 0.0103 0.4978 0.4978
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0361 0.5
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.003 0.0361 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1214 0.1771
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.4978 0.4978
Schistosoma mansoni topbp1 0.003 0.0361 0.0526
Loa Loa (eye worm) TAR-binding protein 0.0133 0.6853 0.6853
Loa Loa (eye worm) hypothetical protein 0.003 0.0361 0.0361
Giardia lamblia Replication factor C, subunit 1 0.003 0.0361 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0525 0.0766
Schistosoma mansoni chromosome transmission fidelity factor 0.003 0.0361 0.0526
Echinococcus multilocularis GPCR, family 2 0.0033 0.0525 0.0766
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0361 0.5
Trichomonas vaginalis replication factor C large subunit, putative 0.003 0.0361 0.5
Schistosoma mansoni tar DNA-binding protein 0.0133 0.6853 1
Brugia malayi hypothetical protein 0.003 0.0361 0.0361
Schistosoma mansoni hypothetical protein 0.0033 0.0525 0.0766
Schistosoma mansoni hypothetical protein 0.0033 0.0525 0.0766
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0361 0.5
Loa Loa (eye worm) hypothetical protein 0.0171 0.9292 0.9292
Loa Loa (eye worm) RNA binding protein 0.0133 0.6853 0.6853
Brugia malayi TAR-binding protein 0.0133 0.6853 0.6853
Brugia malayi Pax transcription activation domain interacting protein 0.003 0.0361 0.0361
Loa Loa (eye worm) hypothetical protein 0.007 0.2917 0.2917
Schistosoma mansoni tar DNA-binding protein 0.0133 0.6853 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.196 0.286
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.196 0.286
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.196 0.286
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0361 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.4978 0.4978
Schistosoma mansoni hypothetical protein 0.0033 0.0525 0.0766
Entamoeba histolytica hypothetical protein 0.0043 0.1214 1
Echinococcus multilocularis replication factor c subunit 1 0.003 0.0361 0.0526
Loa Loa (eye worm) hypothetical protein 0.0182 1 1
Plasmodium vivax replication factor C subunit 1, putative 0.003 0.0361 0.5
Schistosoma mansoni topbp1 0.003 0.0361 0.0526
Brugia malayi hypothetical protein 0.0043 0.1214 0.1214
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0525 0.0766
Entamoeba histolytica hypothetical protein 0.0043 0.1214 1
Brugia malayi hypothetical protein 0.003 0.0361 0.0361
Loa Loa (eye worm) hypothetical protein 0.003 0.0361 0.0361
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0361 0.5
Schistosoma mansoni hypothetical protein 0.007 0.2917 0.4256
Brugia malayi topoisomerase 0.003 0.0361 0.0361
Entamoeba histolytica hypothetical protein 0.0043 0.1214 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.196 0.286
Loa Loa (eye worm) hypothetical protein 0.003 0.0361 0.0361
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.003 0.0361 0.0361
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.003 0.0361 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0525 0.0525
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0133 0.6853 0.6853
Treponema pallidum DNA ligase (lig) 0.003 0.0361 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.196 0.286
Loa Loa (eye worm) hypothetical protein 0.0033 0.0525 0.0525
Schistosoma mansoni tar DNA-binding protein 0.0133 0.6853 1
Echinococcus granulosus tar DNA binding protein 0.0133 0.6853 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.003 0.0361 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.1214 1
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.003 0.0361 0.5
Echinococcus granulosus replication factor c subunit 1 0.003 0.0361 0.0526
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.196 0.196
Loa Loa (eye worm) hypothetical protein 0.003 0.0361 0.0361
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0525 0.0766
Plasmodium falciparum replication factor C subunit 1, putative 0.003 0.0361 0.5
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.003 0.0361 0.5
Schistosoma mansoni DNA ligase IV 0.003 0.0361 0.0526
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.003 0.0361 0.5
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.003 0.0361 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0361 0.0361
Echinococcus granulosus GPCR family 2 0.0033 0.0525 0.0766

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.136 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activators of 5'UTR Stem-Loop Driven Prion Protein mRNA Translation in H4 Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1829 (Project Summary), 1814 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.5623 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5805 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 12.5893 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
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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