Detailed information for compound 1043359

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.255 | Formula: C16H12Cl2FN3OS
  • H donors: 1 H acceptors: 2 LogP: 4.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncc(cc1OC(c1c(Cl)ccc(c1Cl)F)C)c1nccs1
  • InChi: 1S/C16H12Cl2FN3OS/c1-8(13-10(17)2-3-11(19)14(13)18)23-12-6-9(7-22-15(12)20)16-21-4-5-24-16/h2-8H,1H3,(H2,20,22)
  • InChiKey: GCKFRNJDXNHRHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0542 0.0747
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0542 0.0747
Loa Loa (eye worm) hypothetical protein 0.0012 0.0058 0.0058
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0542 0.0871
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0542 0.0542
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.2213 0.2213
Brugia malayi steroid hormone receptor 0.0022 0.0542 0.0542
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0369 0.0509
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1126 0.1553
Loa Loa (eye worm) hypothetical protein 0.004 0.1359 0.1359
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0542 0.0747
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0542 0.0871
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0542 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0542 0.0871
Brugia malayi plexin A 0.0025 0.0645 0.0645
Brugia malayi hypothetical protein 0.0096 0.3896 0.3896
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0542 0.0542
Schistosoma mansoni hypothetical protein 0.0019 0.0369 0.0594
Brugia malayi nuclear receptor RXR 0.0012 0.0058 0.0058
Entamoeba histolytica hypothetical protein 0.0035 0.1126 0.5
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0542 0.0871
Schistosoma mansoni tar DNA-binding protein 0.0147 0.6223 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0058 0.0058
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0058 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0147 0.6223 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0058 0.008
Loa Loa (eye worm) hypothetical protein 0.0022 0.0542 0.0542
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0542 0.0747
Loa Loa (eye worm) hypothetical protein 0.0169 0.7251 0.7251
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0542 0.0747
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.545 0.545
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1885 0.2599
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0542 0.0747
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0542 0.0542
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1885 0.2599
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0542 0.0747
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0542 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0058 0.008
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0058 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0147 0.6223 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1885 0.2599
Loa Loa (eye worm) hypothetical protein 0.0021 0.047 0.047
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0542 0.0542
Schistosoma mansoni hypothetical protein 0.0035 0.1126 0.181
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0058 0.0093
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0542 1
Entamoeba histolytica hypothetical protein 0.0035 0.1126 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0542 0.0542
Loa Loa (eye worm) plexin A 0.0025 0.0645 0.0645
Loa Loa (eye worm) hypothetical protein 0.0022 0.0542 0.0542
Echinococcus multilocularis GPCR, family 2 0.0019 0.0369 0.0509
Echinococcus granulosus tar DNA binding protein 0.0147 0.6223 0.8582
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0019 0.0369 0.0369
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.1885 0.1885
Schistosoma mansoni tar DNA-binding protein 0.0147 0.6223 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0542 0.0747
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.1885 0.1885
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0542 0.0542
Brugia malayi Plexin repeat family protein 0.0021 0.047 0.047
Loa Loa (eye worm) hypothetical protein 0.0169 0.7251 0.7251
Entamoeba histolytica hypothetical protein 0.0035 0.1126 0.5
Schistosoma mansoni eyes absent homolog 0.0096 0.3896 0.6262
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0542 0.0871
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0542 0.0747
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.2213 0.2213
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0542 0.0542
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0542 0.0747
Loa Loa (eye worm) hypothetical protein 0.0096 0.3896 0.3896
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0369 0.0369
Echinococcus granulosus muscleblind protein 0.0169 0.7251 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0542 0.0747
Schistosoma mansoni plexin 0.0012 0.0072 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0542 0.0542
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0369 0.0509
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.1359 0.1359
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0542 0.0542
Echinococcus granulosus GPCR family 2 0.0019 0.0369 0.0509
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0542 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0542 0.0542
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1126 0.1553
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0542 0.0871
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1885 0.3029
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0542 0.0747
Brugia malayi Muscleblind-like protein 0.0169 0.7251 0.7251
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0542 0.0747
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1126 0.181
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0542 0.0871
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0542 0.0542
Entamoeba histolytica hypothetical protein 0.0035 0.1126 0.5
Loa Loa (eye worm) RNA binding protein 0.0147 0.6223 0.6223
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0542 0.0747
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0369 0.0509
Onchocerca volvulus 0.0022 0.0542 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1885 0.2599
Loa Loa (eye worm) hypothetical protein 0.0012 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0059 0.2213 0.2213
Brugia malayi ecdysteroid receptor 0.0022 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0012 0.0058 0.0058
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0369 0.0509
Schistosoma mansoni hypothetical protein 0.0012 0.0072 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0072
Brugia malayi RNA binding protein 0.0147 0.6223 0.6223
Loa Loa (eye worm) hypothetical protein 0.0022 0.0542 0.0542
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0542 0.0542
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0542 0.0747
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0542 0.0747
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0022 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0012 0.0058 0.0058
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0542 0.0747
Brugia malayi hypothetical protein 0.0035 0.1126 0.1126
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0542 0.0747
Loa Loa (eye worm) hypothetical protein 0.0022 0.0542 0.0542
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0542 0.0871
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0542 0.0542
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1885 0.3029
Loa Loa (eye worm) TAR-binding protein 0.0147 0.6223 0.6223
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0542 0.0542
Echinococcus multilocularis tar DNA binding protein 0.0147 0.6223 0.8582
Brugia malayi hypothetical protein 0.0012 0.0058 0.0058
Echinococcus granulosus plexin a4 0.0025 0.0645 0.0889
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.2213 0.2213
Loa Loa (eye worm) hypothetical protein 0.0096 0.3896 0.3896
Schistosoma mansoni hypothetical protein 0.004 0.1359 0.2185
Loa Loa (eye worm) hypothetical protein 0.0012 0.0058 0.0058
Brugia malayi nuclear receptor NHR-88 0.0022 0.0542 0.0542
Brugia malayi RNA recognition motif domain containing protein 0.0147 0.6223 0.6223
Schistosoma mansoni hypothetical protein 0.0019 0.0369 0.0594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0542 0.0542
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.545 0.545
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0542 0.0542
Brugia malayi nuclear hormone receptor 0.0022 0.0542 0.0542
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0542 0.0542
Echinococcus multilocularis muscleblind protein 1 0.0169 0.7251 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0542 0.0871
Brugia malayi hypothetical protein 0.0012 0.0058 0.0058
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0369 0.0369
Brugia malayi MH2 domain containing protein 0.013 0.545 0.545
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0542 0.0542
Schistosoma mansoni hypothetical protein 0.0019 0.0369 0.0594
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 1 1
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0542 0.0871
Schistosoma mansoni coup transcription factor 0.0022 0.0542 0.0871
Echinococcus multilocularis plexin a4 0.0025 0.0645 0.0889
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0542 0.0871
Echinococcus multilocularis muscleblind protein 0.0169 0.7251 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0542 0.0542
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0542 0.0871
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0369 0.0369
Schistosoma mansoni plexin 0.0021 0.047 0.0756
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0022 0.0542 0.0542
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0058 0.0093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1885 0.3029
Loa Loa (eye worm) hypothetical protein 0.0022 0.0542 0.0542
Brugia malayi TAR-binding protein 0.0147 0.6223 0.6223
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0147 0.6223 0.6223
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0542 0.0542
Schistosoma mansoni tar DNA-binding protein 0.0147 0.6223 1
Onchocerca volvulus 0.0021 0.047 0.8678
Schistosoma mansoni hypothetical protein 0.0019 0.0369 0.0594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0542 0.0542

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.74 uM Inhibition of human recombinant c-MET kinase expressed in A549 cells assessed as inhibition of HGF-induced autophosphorylation by ELISA method ChEMBL. 21812414
Ki (binding) = 0.78 uM Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay ChEMBL. 21812414

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

1 literature reference was collected for this gene.

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