Detailed information for compound 508623

Basic information

Technical information
  • TDR Targets ID: 508623
  • Name: N-[(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyph enyl)carbamothioyl]-2-phenylacetamide
  • MW: 437.51 | Formula: C22H16FN3O2S2
  • H donors: 2 H acceptors: 2 LogP: 5.12 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(NC(=O)Cc1ccccc1)Nc1ccc(c(c1)F)Oc1ccnc2c1scc2
  • InChi: 1S/C22H16FN3O2S2/c23-16-13-15(25-22(29)26-20(27)12-14-4-2-1-3-5-14)6-7-18(16)28-19-8-10-24-17-9-11-30-21(17)19/h1-11,13H,12H2,(H2,25,26,27,29)
  • InChiKey: DNBVMOXDARBOEE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxy-phenyl)carbamothioyl]-2-phenyl-acetamide
  • N-[[3-fluoro-4-(7-thieno[3,2-b]pyridinyloxy)anilino]-thioxomethyl]-2-phenylacetamide
  • N-[(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxy-phenyl)carbamothioyl]-2-phenyl-ethanamide
  • N-[(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxy-phenyl)thiocarbamoyl]-2-phenyl-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens MET proto-oncogene, receptor tyrosine kinase Starlite/ChEMBL References
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
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
Schistosoma mansoni hypothetical protein 0.0012 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0011 0.0058 0.0058
Loa Loa (eye worm) plexin A 0.0025 0.0365 0.0365
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0141 0.0141
Schistosoma mansoni cell adhesion molecule 0.0015 0.0141 0.0141
Echinococcus granulosus defective proboscis extension response 0.0011 0.0058 0.0058
Brugia malayi plexin A 0.0025 0.0365 0.0365
Echinococcus multilocularis serotonin receptor 0.025 0.5513 0.5513
Schistosoma mansoni nephrin 0.0014 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.025 0.5513 0.5513
Echinococcus granulosus Immunoglobulin 0.0011 0.0058 0.0058
Brugia malayi Fibronectin type III domain containing protein 0.0011 0.0058 0.0058
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0058 0.0058
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0058 0.0058
Echinococcus multilocularis plexin a4 0.0025 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0011 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0015 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0011 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0011 0.0058 0.0058
Schistosoma mansoni biogenic amine (5HT) receptor 0.025 0.5513 0.5513
Schistosoma mansoni vesicular acetylcholine transporter 0.0447 1 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0447 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0375 0.8372 0.8372
Echinococcus multilocularis Immunoglobulin 0.0011 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0021 0.0277 0.0277
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0058 0.0058
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0375 0.8372 0.5
Echinococcus multilocularis roundabout 2 0.0018 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0018 0.0207 0.0207
Onchocerca volvulus 0.0021 0.0277 0.0277
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0375 0.8372 0.8372
Echinococcus multilocularis Immunoglobulin 0.0011 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0012 0.0078 0.0078
Echinococcus multilocularis serotonin receptor 0.025 0.5513 0.5513
Echinococcus granulosus biogenic amine 5HT receptor 0.025 0.5513 0.5513
Echinococcus multilocularis neuroglian 0.0014 0.0123 0.0123
Echinococcus granulosus plexin a4 0.0025 0.0365 0.0365
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.0058 0.0058
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0447 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0184 0.3994 0.3994
Loa Loa (eye worm) hypothetical protein 0.0192 0.4181 0.4181
Loa Loa (eye worm) hypothetical protein 0.025 0.5513 0.5513
Schistosoma mansoni plexin 0.0021 0.0277 0.0277
Brugia malayi hypothetical protein 0.0011 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0018 0.0207 0.0207
Leishmania major C-8 sterol isomerase-like protein 0.0375 0.8372 0.5
Schistosoma mansoni vesicular amine transporter 0.0012 0.0067 0.0067
Schistosoma mansoni plexin 0.0012 0.0078 0.0078
Echinococcus granulosus roundabout 2 0.0018 0.0207 0.0207
Trypanosoma brucei C-8 sterol isomerase, putative 0.0375 0.8372 0.5
Onchocerca volvulus 0.0167 0.3607 0.3607
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.3719 0.3719
Echinococcus multilocularis vesicular acetylcholine transporter 0.0447 1 1
Echinococcus granulosus twitchin 0.0014 0.0123 0.0123
Brugia malayi Plexin repeat family protein 0.0021 0.0277 0.0277
Echinococcus granulosus vesicular acetylcholine transporter 0.0447 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0058 0.0058
Brugia malayi Immunoglobulin I-set domain containing protein 0.0184 0.3994 0.3994
Echinococcus granulosus neuroglian 0.0014 0.0123 0.0123

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 116 nM Inhibition of GST tagged c-Met (unknown origin) expressed in Sf9 cells ChEMBL. 18434145
IC50 (binding) = 116 nM Inhibition of GST tagged c-Met (unknown origin) expressed in Sf9 cells ChEMBL. 18434145
IC50 (binding) = 116 nM Inhibition of human c-MET ChEMBL. 21641696
IC50 (binding) = 1134 nM Inhibition of GST tagged VEGFR2 (unknown origin) expressed in Sf9 cells ChEMBL. 18434145
IC50 (binding) = 1134 nM Inhibition of GST tagged VEGFR2 (unknown origin) expressed in Sf9 cells ChEMBL. 18434145

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

2 literature references were collected for this gene.

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