Detailed information for compound 1938364

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 616.664 | Formula: C34H25FN6O3S
  • H donors: 1 H acceptors: 4 LogP: 5.81 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccccc1c1c(cnn1c1ccccc1)C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1sc(c2)c1ncn(c1)C
  • InChi: 1S/C34H25FN6O3S/c1-40-19-27(37-20-40)31-17-26-33(45-31)30(14-15-36-26)44-29-13-12-21(16-25(29)35)39-34(42)24-18-38-41(22-8-4-3-5-9-22)32(24)23-10-6-7-11-28(23)43-2/h3-20H,1-2H3,(H,39,42)
  • InChiKey: MPKSQOZOHKEBQM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0468 0.0424
Loa Loa (eye worm) hypothetical protein 0.0021 0.0263 0.0701
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1736 0.3042
Entamoeba histolytica hypothetical protein 0.0043 0.0888 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0888 0.3321
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0263 0.0068
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0468 0.0766
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0888 0.4495
Loa Loa (eye worm) plexin A 0.0025 0.0355 0.0949
Entamoeba histolytica hypothetical protein 0.0043 0.0888 1
Mycobacterium ulcerans hypothetical protein 0.0029 0.0468 0.0424
Mycobacterium ulcerans hypothetical protein 0.0192 0.5104 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1363 0.3289
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1736 0.133
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3745 1
Schistosoma mansoni eyes absent homolog 0.0106 0.2674 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0468 0.0489
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0263 0.5
Echinococcus multilocularis plexin a4 0.0025 0.0355 0.1034
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.5104 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0468 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.4551 0.3871
Loa Loa (eye worm) hypothetical protein 0.0029 0.0468 0.1249
Loa Loa (eye worm) hypothetical protein 0.0021 0.0263 0.0701
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0468 0.0424
Schistosoma mansoni hypothetical protein 0.0019 0.0196 0.0733
Schistosoma mansoni hypothetical protein 0.0043 0.0888 0.3321
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0468 0.0424
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4551 0.4284
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1736 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0468 0.0424
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1736 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1736 0.3042
Schistosoma mansoni hypothetical protein 0.0019 0.0196 0.0733
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1363 0.3289
Brugia malayi MH2 domain containing protein 0.0144 0.3745 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0468 0.0489
Schistosoma mansoni hypothetical protein 0.0019 0.0196 0.0733
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0823 0.1767
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1736 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0247 0.066
Loa Loa (eye worm) hypothetical protein 0.0019 0.0196 0.0524
Loa Loa (eye worm) hypothetical protein 0.006 0.1363 0.364
Loa Loa (eye worm) hypothetical protein 0.0041 0.0823 0.2198
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1736 0.3089
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1736 0.649
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0468 0.0766
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0263 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0888 0.4495
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Brugia malayi hypothetical protein 0.0043 0.0888 0.195
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0468 0.0766
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1736 0.649
Loa Loa (eye worm) hypothetical protein 0.0029 0.0468 0.1249
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3745 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0263 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1736 0.3042
Loa Loa (eye worm) hypothetical protein 0.0029 0.0468 0.1249
Echinococcus granulosus plexin a4 0.0025 0.0355 0.1034
Schistosoma mansoni hypothetical protein 0.0041 0.0823 0.3078
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0468 0.5
Brugia malayi plexin A 0.0025 0.0355 0.0449
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0468 0.0424
Loa Loa (eye worm) hypothetical protein 0.0106 0.2674 0.714
Brugia malayi Plexin repeat family protein 0.0021 0.0247 0.0144
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4551 0.3871
Entamoeba histolytica hypothetical protein 0.0043 0.0888 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0468 0.0424
Brugia malayi hypothetical protein 0.0106 0.2674 0.6982
Schistosoma mansoni hypothetical protein 0.0019 0.0196 0.0733
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0063 0.1428 0.0358
Loa Loa (eye worm) hypothetical protein 0.0106 0.2674 0.714
Schistosoma mansoni plexin 0.0021 0.0247 0.0924
Loa Loa (eye worm) hypothetical protein 0.0021 0.0263 0.0701
Entamoeba histolytica hypothetical protein 0.0043 0.0888 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0263 0.0701
Onchocerca volvulus 0.0029 0.0468 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0468 0.0424
Loa Loa (eye worm) hypothetical protein 0.0021 0.0263 0.0701
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0196 0.0524
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1363 0.364

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.35 uM Inhibition of c-Met phosphorylation in human MKN45 cells ChEMBL. 26243370

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.