TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 485.531 | Formula: C23H24FN5O4S
H donors: 1 H acceptors: 5 LogP: 1.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COCC(Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(C)C)F
InChi: 1S/C23H24FN5O4S/c1-28(2)34(31,32)27-19-6-4-15-5-7-22-21(23(30)20(15)9-19)8-16(10-25-22)17-11-26-29(12-17)13-18(24)14-33-3/h4-12,18,27H,13-14H2,1-3H3
InChiKey: QQVLTJCDPRETGN-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Plexin repeat family protein	0.0021	0.0045	0.0109
Plasmodium vivax	elongation of very long chain fatty acids protein 3, putative	0.0066	0.0642	0.1267
Onchocerca volvulus		0.0066	0.0642	1
Brugia malayi	hypothetical protein	0.0018	0.0007	0.0018
Plasmodium vivax	long chain polyunsaturated fatty acid elongation enzyme, putative	0.0066	0.0642	0.1267
Trypanosoma cruzi	fatty acid elongase, putative	0.0066	0.0642	0.1267
Brugia malayi	GNS1/SUR4 family protein	0.0066	0.0642	0.1565
Leishmania major	fatty acid elongase, putative	0.0066	0.0642	0.1267
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.05	0.05
Echinococcus granulosus	plexin a4	0.0025	0.0096	0.0096
Trypanosoma cruzi	fatty acid elongase, putative	0.0325	0.4105	1
Schistosoma mansoni	elongation of fatty acids protein 1	0.0066	0.0642	0.0642
Toxoplasma gondii	fatty acid elongase	0.0066	0.0642	0.1267
Schistosoma mansoni	elongation of fatty acids protein 1	0.0066	0.0642	0.0642
Echinococcus multilocularis	muscleblind protein 1	0.0166	0.1981	0.1981
Trypanosoma cruzi	fatty acid elongase, putative	0.0066	0.0642	0.1267
Echinococcus multilocularis	elongation of very long chain fatty acids	0.0066	0.0642	0.0642
Trypanosoma brucei	Fatty acid elongase	0.0066	0.0642	0.1267
Trypanosoma cruzi	fatty acid elongase, putative	0.0325	0.4105	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0505	0.1231
Trypanosoma cruzi	fatty acid elongase, putative	0.0325	0.4105	1
Brugia malayi	hypothetical protein	0.0028	0.014	0.0341
Leishmania major	fatty acid elongase, putative	0.0066	0.0642	0.1267
Loa Loa (eye worm)	ELO-9 protein	0.0066	0.0642	0.1565
Brugia malayi	fatty acid elongation protein 3	0.0066	0.0642	0.1565
Leishmania major	fatty acid elongase, putative	0.0325	0.4105	1
Brugia malayi	fatty acid elongation protein 3	0.0066	0.0642	0.1565
Leishmania major	fatty acid elongase, putative	0.0066	0.0642	0.1267
Plasmodium vivax	GNS1/SUR4 domain containing protein	0.0325	0.4105	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.014	0.0341
Leishmania major	fatty acid elongase, putative	0.0066	0.0642	0.1267
Leishmania major	fatty acid elongase, putative	0.0066	0.0642	0.1267
Echinococcus granulosus	elongation of very long chain fatty acids	0.0066	0.0642	0.0642
Loa Loa (eye worm)	GNS1/SUR4 family protein	0.0066	0.0642	0.1565
Trypanosoma cruzi	fatty acid elongase, putative	0.0066	0.0642	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0642	0.1565
Brugia malayi	fatty acid elongation protein 3	0.0066	0.0642	0.1565
Brugia malayi	plexin A	0.0025	0.0096	0.0233
Plasmodium falciparum	long chain polyunsaturated fatty acid elongation enzyme, putative	0.0066	0.0642	0.1267
Trypanosoma cruzi	fatty acid elongase, putative	0.0066	0.0642	0.1267
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0505	0.1231
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0505	0.1231
Trypanosoma brucei	Fatty acid elongase	0.0066	0.0642	0.1267
Loa Loa (eye worm)	fatty acid elongation protein 3	0.0325	0.4105	1
Echinococcus multilocularis	elongation of very long chain fatty acids	0.0066	0.0642	0.0642
Loa Loa (eye worm)	fatty acid elongation protein 3	0.0066	0.0642	0.1565
Brugia malayi	Muscleblind-like protein	0.0166	0.1981	0.4826
Trypanosoma cruzi	fatty acid elongase, putative	0.0325	0.4105	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0271	0.0661
Loa Loa (eye worm)	plexin A	0.0025	0.0096	0.0233
Brugia malayi	Hypothetical 34.1 kDa protein C40H1.4 in chromosome III	0.0066	0.0642	0.1565
Plasmodium falciparum	long chain fatty acid elongation enzyme, putative	0.0325	0.4105	1
Echinococcus multilocularis	muscleblind protein	0.0166	0.1981	0.1981
Leishmania major	fatty acid elongase, putative	0.0325	0.4105	1
Brugia malayi	GNS1/SUR4 family protein	0.0325	0.4105	1
Echinococcus multilocularis	tumor protein p63	0.0375	0.4777	0.4777
Echinococcus granulosus	tumor protein p63	0.0375	0.4777	0.4777
Brugia malayi	Fatty acid elongation protein 3	0.0325	0.4105	1
Leishmania major	fatty acid elongase, putative	0.0325	0.4105	1
Leishmania major	long chain polyunsaturated fatty acid elongation enzyme-like protein	0.0066	0.0642	0.1267
Schistosoma mansoni	fatty acid acyl transferase-related	0.0066	0.0642	0.0642
Echinococcus granulosus	muscleblind protein	0.0166	0.1981	0.1981
Onchocerca volvulus	Elongation of very long chain fatty acids protein homolog	0.0066	0.0642	1
Schistosoma mansoni	plexin	0.0021	0.0045	0.0045
Echinococcus granulosus	elongation of very long chain fatty acids	0.0066	0.0642	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1981	0.4826
Schistosoma mansoni	elongation of fatty acids protein 1	0.0066	0.0642	0.0642
Plasmodium falciparum	fatty acid elongation protein, GNS1/SUR4 family, putative	0.0325	0.4105	1
Echinococcus multilocularis	microtubule associated protein 2	0.0766	1	1
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1981	0.4826
Toxoplasma gondii	integral membrane protein, GNS1/SUR4 family protein, putative	0.0325	0.4105	1
Schistosoma mansoni	microtubule-associated protein tau	0.0766	1	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0505	0.1231
Leishmania major	fatty acid elongase, putative	0.0066	0.0642	0.1267
Brugia malayi	fatty acid elongation protein 3	0.0066	0.0642	0.1565
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0271	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0045	0.0109
Schistosoma mansoni	elongation of fatty acids protein 1	0.0066	0.0642	0.0642
Onchocerca volvulus		0.0055	0.05	0.761
Loa Loa (eye worm)	fatty acid elongation protein 3	0.0066	0.0642	0.1565
Leishmania major	fatty acid elongase, putative	0.0066	0.0642	0.1267
Toxoplasma gondii	GNS1/SUR4 family protein	0.0325	0.4105	1
Leishmania major	fatty acid elongase, putative	0.0066	0.0642	0.1267
Onchocerca volvulus		0.0066	0.0642	1
Loa Loa (eye worm)	fatty acid elongation protein 3	0.0066	0.0642	0.1565
Trypanosoma brucei	elongation of very long chain fatty acids protein, putative	0.0066	0.0642	0.1267
Trypanosoma brucei	Fatty acid elongase	0.0325	0.4105	1
Leishmania major	fatty acid elongase, putative	0.0066	0.0642	0.1267
Trypanosoma cruzi	fatty acid elongase, putative	0.0066	0.0642	0.1267
Onchocerca volvulus	Elongation of very long chain fatty acids protein homolog	0.0066	0.0642	1
Trypanosoma cruzi	fatty acid elongase, putative	0.0066	0.0642	0.1267
Echinococcus multilocularis	plexin a4	0.0025	0.0096	0.0096
Trypanosoma brucei	Long chain fatty acyl elongase	0.0066	0.0642	0.1267
Loa Loa (eye worm)	GNS1/SUR4 family protein	0.0325	0.4105	1
Onchocerca volvulus	Elongation of very long chain fatty acids protein 5 homolog	0.0066	0.0642	1
Leishmania major	fatty acid elongase, putative	0.0066	0.0642	0.1267
Schistosoma mansoni	hypothetical protein	0.0038	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0055	0.05	0.1217

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3 nM	Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence resonance energy transfer assay	ChEMBL.	21608528
IC50 (binding)	= 20 nM	Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis	ChEMBL.	21608528

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

ChEMBL: CHEMBL1802836

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.

Detailed information for compound 1084624