Detailed information for compound 1099056

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 554.476 | Formula: C30H17F3N4O4
  • H donors: 1 H acceptors: 4 LogP: 5.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(cc1)c1coc2c1c(ncn2)Oc1ccc(cc1F)NC(=O)c1cccn(c1=O)c1ccc(cc1)F
  • InChi: 1S/C30H17F3N4O4/c31-18-5-3-17(4-6-18)23-15-40-28-26(23)29(35-16-34-28)41-25-12-9-20(14-24(25)33)36-27(38)22-2-1-13-37(30(22)39)21-10-7-19(32)8-11-21/h1-16H,(H,36,38)
  • InChiKey: YPSPRDOJXOCMOD-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
Onchocerca volvulus 0.0026 0.0938 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0219 0.0178
Echinococcus granulosus plexin a4 0.0025 0.082 0.0782
Echinococcus multilocularis musashi 0.0026 0.0938 0.09
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1561 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.3413 0.3386
Echinococcus multilocularis geminin 0.0165 1 1
Brugia malayi hypothetical protein 0.0025 0.0811 0.2159
Brugia malayi plexin A 0.0025 0.082 0.2186
Loa Loa (eye worm) hypothetical protein 0.0025 0.0811 0.2478
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1561 0.2882
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0219 0.0178
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3274 0.3246
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3274 0.3274
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.3413 0.3413
Echinococcus multilocularis GPCR, family 2 0.0015 0.0219 0.0178
Schistosoma mansoni lamin 0.0026 0.0938 0.0938
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0219 0.0178
Brugia malayi intermediate filament protein 0.0026 0.0938 0.2561
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0938 0.2561
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.1561 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2407 0.724
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1561 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1561 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.3413 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.1561 0.1561
Echinococcus granulosus tar DNA binding protein 0.0062 0.3274 0.3246
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.3413 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3274 1
Brugia malayi hypothetical protein 0.0016 0.0242 0.0347
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3274 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3274 0.3274
Brugia malayi Plexin repeat family protein 0.0021 0.057 0.1391
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.1561 0.1526
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0219 0.0668
Schistosoma mansoni hypothetical protein 0.0015 0.0219 0.0219
Echinococcus granulosus lamin 0.0026 0.0938 0.09
Loa Loa (eye worm) hypothetical protein 0.0012 0.001 0.003
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1394 0.4015
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3274 0.3274
Loa Loa (eye worm) hypothetical protein 0.0026 0.0938 0.2864
Schistosoma mansoni hypothetical protein 0.0165 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3274 0.3274
Echinococcus multilocularis lamin dm0 0.0026 0.0938 0.09
Schistosoma mansoni lamin 0.0026 0.0938 0.0938
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.3413 1
Echinococcus granulosus GPCR family 2 0.0015 0.0219 0.0178
Schistosoma mansoni hypothetical protein 0.0015 0.0219 0.0219
Echinococcus multilocularis plexin a4 0.0025 0.082 0.0782
Loa Loa (eye worm) hypothetical protein 0.0033 0.1394 0.4259
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3274 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0938 0.2864
Loa Loa (eye worm) RNA binding protein 0.0062 0.3274 1
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.3413 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2407 0.7353
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.3413 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0811 0.5
Brugia malayi RNA binding protein 0.0062 0.3274 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0219 0.0178
Schistosoma mansoni hypothetical protein 0.0165 1 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.1561 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0938 0.2864
Loa Loa (eye worm) hypothetical protein 0.0026 0.0906 0.2767
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3274 0.3274
Schistosoma mansoni plexin 0.0021 0.057 0.057
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.1561 0.1526
Schistosoma mansoni hypothetical protein 0.0033 0.1394 0.1394
Loa Loa (eye worm) inositol-1 0.0036 0.1561 0.4769
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0133 0.0408
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0219 0.0271
Onchocerca volvulus 0.0026 0.0938 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.1561 0.2882
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.1561 0.5
Brugia malayi TAR-binding protein 0.0062 0.3274 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.057 0.1742
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0811 0.5
Echinococcus multilocularis lamin 0.0026 0.0938 0.09
Echinococcus granulosus lamin dm0 0.0026 0.0938 0.09
Loa Loa (eye worm) hypothetical protein 0.0049 0.2407 0.7353
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.3413 0.3386
Loa Loa (eye worm) hypothetical protein 0.0015 0.0219 0.0668
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.1314 0.5
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0219 0.0271
Schistosoma mansoni inositol monophosphatase 0.0036 0.1561 0.1561
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1561 1
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.3413 0.3413
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.3413 1
Schistosoma mansoni hypothetical protein 0.0015 0.0219 0.0219
Schistosoma mansoni intermediate filament proteins 0.0026 0.0938 0.0938
Loa Loa (eye worm) plexin A 0.0025 0.082 0.2505
Brugia malayi Inositol-1 0.0036 0.1561 0.4546
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0811 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0219 0.0219
Loa Loa (eye worm) hypothetical protein 0.0012 0.001 0.003
Echinococcus granulosus intermediate filament protein 0.0026 0.0938 0.09
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2407 0.724
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1561 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0127

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 310 nM Inhibition of c-Met after 60 mins by ELISA ChEMBL. 21665484
Inhibition (functional) = -5.8 % Antiproliferative activity against human BAF3 cells expressing TPR-Met assessed as inhibition of cell growth at 1 uM ChEMBL. 21665484
Inhibition (functional) = -4.7 % Antiproliferative activity against human BAF3 cells expressing TPR-Met assessed as inhibition of cell growth at 0.1 uM ChEMBL. 21665484
Inhibition (functional) = 76.3 % Antiproliferative activity against human BAF3 cells expressing TPR-Met assessed as inhibition of cell growth at 10 uM ChEMBL. 21665484
Inhibition (binding) = 80.9 % Inhibition of c-Met at 10 uM after 60 mins by ELISA ChEMBL. 21665484

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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