TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 482.938 | Formula: C24H24ClFN6O2
H donors: 4 H acceptors: 4 LogP: 4.89 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)C(C)(C)CCC(=O)N2)F
InChi: 1S/C24H24ClFN6O2/c1-24(2)10-9-19(33)30-18-8-7-13(11-15(18)24)29-23-28-12-16(25)21(32-23)31-20-14(22(34)27-3)5-4-6-17(20)26/h4-8,11-12H,9-10H2,1-3H3,(H,27,34)(H,30,33)(H2,28,29,31,32)
InChiKey: YRFQWNJZGSTUOR-UHFFFAOYSA-N

Network

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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

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Clustering layers

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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	insulin receptor	Starlite/ChEMBL	References
Homo sapiens	MET proto-oncogene, receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	ko:K08252 receptor protein-tyrosine kinase [EC2.7.10.1], putative	Get druggable targets OG5_129857	All targets in OG5_129857
Loa Loa (eye worm)	TK/INSR protein kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	IPR008957,Fibronectin, type III-like fold,domain-containing	Get druggable targets OG5_129857	All targets in OG5_129857
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	Insulin-like peptide receptor precursor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus granulosus	insulin receptor	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	ko:K04527 insulin receptor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	Insulin-like peptide receptor precursor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_129857	All targets in OG5_129857
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus multilocularis	insulin growth factor 1 receptor beta	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus multilocularis	insulin receptor	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus granulosus	insulin growth factor 1 receptor beta	Get druggable targets OG5_129857	All targets in OG5_129857

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
Schistosoma mansoni	tyrosine kinase	0.0071	0.0622	0.0622
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0073	0.065	0.0606
Brugia malayi	hypothetical protein	0.0289	0.3347	0.3347
Trypanosoma brucei	Aminopeptidase M1, putative	0.0822	1	1
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0289	0.3347	0.3347
Brugia malayi	hypothetical protein	0.0822	1	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0822	1	1
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0822	1	1
Loa Loa (eye worm)	hypothetical protein	0.0533	0.6393	0.6393
Entamoeba histolytica	aminopeptidase, putative	0.0822	1	0.5
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0289	0.3347	0.3347
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0822	1	1
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0289	0.3347	0.5
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0289	0.3347	0.5
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0822	1	1
Brugia malayi	plexin A	0.0025	0.0048	0.0048
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0822	1	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0822	1	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0816	0.0816
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0822	1	1
Brugia malayi	TATA binding protein associated factor	0.0289	0.3347	0.3347
Loa Loa (eye worm)	TK/INSR protein kinase	0.0159	0.1727	0.1727
Echinococcus granulosus	aminopeptidase N	0.0822	1	1
Trypanosoma brucei	Aminopeptidase M1, putative	0.0822	1	1
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0822	1	1
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0822	1	1
Toxoplasma gondii	aminopeptidase N, putative	0.0289	0.3347	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0822	1	1
Loa Loa (eye worm)	plexin A	0.0025	0.0048	0.0048
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0159	0.1727	0.1687
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0822	1	1
Mycobacterium ulcerans	aminopeptidase N PepN	0.0822	1	1
Loa Loa (eye worm)	TATA binding protein associated factor	0.0289	0.3347	0.3347
Onchocerca volvulus		0.0289	0.3347	0.3347
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0822	1	1
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0289	0.3347	0.3315
Loa Loa (eye worm)	hypothetical protein	0.0289	0.3347	0.3347
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0289	0.3347	0.3315
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0073	0.065	0.065
Schistosoma mansoni	tyrosine kinase	0.0159	0.1727	0.1727
Onchocerca volvulus		0.0822	1	1
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0289	0.3347	0.5
Schistosoma mansoni	tyrosine kinase	0.0071	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0289	0.3347	0.3347
Echinococcus multilocularis	aminopeptidase N	0.0822	1	1
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0289	0.3347	0.3347
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0289	0.3347	0.3347
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0159	0.1727	0.1687
Toxoplasma gondii	aminopeptidase N protein	0.0289	0.3347	0.5
Schistosoma mansoni	tyrosine kinase	0.0071	0.0622	0.0622
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0822	1	1
Trypanosoma cruzi	aminopeptidase, putative	0.0822	1	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0289	0.3347	0.3315
Loa Loa (eye worm)	hypothetical protein	0.0533	0.6393	0.6393
Schistosoma mansoni	tyrosine kinase	0.0073	0.065	0.065
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0289	0.3347	0.5
Loa Loa (eye worm)	aminopeptidase N	0.0822	1	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0822	1	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0822	1	1
Brugia malayi	Peptidase family M1 containing protein	0.0822	1	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0822	1	1
Echinococcus granulosus	epidermal growth factor receptor	0.0073	0.065	0.0606
Brugia malayi	Peptidase family M1 containing protein	0.0289	0.3347	0.3347
Schistosoma mansoni	tyrosine kinase	0.0073	0.065	0.065
Echinococcus multilocularis	epidermal growth factor receptor	0.0073	0.065	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0533	0.6393	0.6393
Echinococcus multilocularis	epidermal growth factor receptor	0.0073	0.065	0.0606
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0822	1	1
Schistosoma mansoni	tyrosine kinase	0.0073	0.065	0.065
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0533	0.6393	0.6375
Echinococcus granulosus	epidermal growth factor receptor	0.0073	0.065	0.0606
Brugia malayi	Furin-like cysteine rich region family protein	0.0073	0.065	0.065
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0289	0.3347	0.3315
Echinococcus granulosus	insulin receptor	0.0159	0.1727	0.1687
Brugia malayi	Protein kinase domain containing protein	0.0159	0.1727	0.1727
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0289	0.3347	0.3347
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0533	0.6393	0.6393
Schistosoma mansoni	tyrosine kinase	0.0159	0.1727	0.1727
Onchocerca volvulus		0.0822	1	1
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0533	0.6393	0.4578
Echinococcus multilocularis	insulin receptor	0.0159	0.1727	0.1687
Brugia malayi	Protein kinase domain containing protein	0.0089	0.0845	0.0845
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0822	1	1
Loa Loa (eye worm)	hypothetical protein	0.0289	0.3347	0.3347
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0822	1	1
Toxoplasma gondii	aminopeptidase n, putative	0.0289	0.3347	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 45 nM	Inhibition of c-Met	ChEMBL.	21123062
IC50 (binding)	= 102 nM	Inhibition of human c-Met in human GTL16 cells by cell-based assay	ChEMBL.	21123062
IC50 (binding)	= 200 nM	Inhibition of IR kinase	ChEMBL.	21123062

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: CHEMBL1644805

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 1464722