Detailed information for compound 1262235

Basic information

Technical information
  • TDR Targets ID: 1262235
  • Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-d ]pyrazol-3-yl)-2-(2-fluorophenoxy)acetamide
  • MW: 401.411 | Formula: C19H16FN3O4S
  • H donors: 1 H acceptors: 4 LogP: 1.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c2CS(=O)(=O)Cc2nn1c1ccccc1)COc1ccccc1F
  • InChi: 1S/C19H16FN3O4S/c20-15-8-4-5-9-17(15)27-10-18(24)21-19-14-11-28(25,26)12-16(14)22-23(19)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,24)
  • InChiKey: MEPWPLAKUCVKER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5,5-diketo-2-phenyl-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)-2-(2-fluorophenoxy)acetamide
  • N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)-2-(2-fluorophenoxy)ethanamide
  • ZINC05077959

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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
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 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
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
Chlamydia trachomatis SWIB complex protein 0.0045 0.7314 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0045 0.7314 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.4915 0.4915
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0045 0.7314 0.5
Schistosoma mansoni hypothetical protein 0.0045 0.7314 0.7314
Brugia malayi brahma associated protein 60 kDa 0.0045 0.7314 0.7314
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0045 0.7314 0.7314
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0045 0.7314 0.7314
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.915 0.915
Echinococcus granulosus SWI:SNF matrix associated 0.0045 0.7314 0.7314
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0045 0.7314 0.7314
Schistosoma mansoni hypothetical protein 0.0036 0.4915 0.4915
Echinococcus multilocularis SWI:SNF matrix associated 0.0045 0.7314 0.7314
Plasmodium vivax hypothetical protein, conserved 0.0045 0.7314 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.915 0.915
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0045 0.7314 0.7314
Loa Loa (eye worm) brahma associated protein 0.0045 0.7314 0.7314
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0045 0.7314 0.7314
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.4915 0.4915
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0045 0.7314 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.915 0.915
Brugia malayi SWIB/MDM2 domain containing protein 0.0045 0.7314 0.7314
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0045 0.7314 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0045 0.7314 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.915 0.915
Brugia malayi brahma associated protein 60 kDa 0.0045 0.7314 0.7314
Chlamydia trachomatis DNA topoisomerase I 0.0045 0.7314 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.7314 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Schistosoma mansoni brg-1 associated factor 0.0045 0.7314 0.7314
Schistosoma mansoni hypothetical protein 0.0045 0.7314 0.7314
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Onchocerca volvulus 0.0045 0.7314 0.5
Schistosoma mansoni hypothetical protein 0.0045 0.7314 0.7314

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 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) 18.526 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) 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) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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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