TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 413.389 | Formula: C18H15F4N3O2S
H donors: 0 H acceptors: 3 LogP: 4.05 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1nccc(c1)CN1C(=O)N(C(=O)C1(C)C)c1ccc(cc1)SC(F)(F)F
InChi: 1S/C18H15F4N3O2S/c1-17(2)15(26)25(12-3-5-13(6-4-12)28-18(20,21)22)16(27)24(17)10-11-7-8-23-14(19)9-11/h3-9H,10H2,1-2H3
InChiKey: KTVQYUJWNKKLCQ-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-like growth factor 1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

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

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
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0451	0.0451
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0052	0.2484	1
Brugia malayi	Protein kinase domain containing protein	0.0087	0.5019	0.5019
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0451	0.0451
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0072	0.3923	0.3923
Schistosoma mansoni	hypothetical protein	0.0035	0.1347	0.1347
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0023	0.0451	0.0451
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0023	0.0451	0.0451
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0023	0.0451	0.0451
Echinococcus multilocularis	epidermal growth factor receptor	0.0072	0.3923	0.3923
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Toxoplasma gondii	cathepsin B	0.0052	0.2484	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0023	0.0451	0.0451
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0451	0.0451
Entamoeba histolytica	cysteine proteinase 2	0.0016	0	0.5
Onchocerca volvulus		0.0023	0.0451	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0023	0.0451	0.0451
Brugia malayi	Nuclear hormone receptor-like 1	0.0023	0.0451	0.0451
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0451	0.0451
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0023	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0451	0.0451
Giardia lamblia	Cathepsin B precursor	0.0052	0.2484	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0023	0.0451	0.0451
Schistosoma mansoni	hypothetical protein	0.0035	0.1347	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0147	0.9242	0.9242
Echinococcus granulosus	epidermal growth factor receptor	0.0072	0.3923	0.3923
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0158	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0023	0.0451	0.0451
Echinococcus multilocularis	epidermal growth factor receptor	0.0072	0.3923	0.3923
Schistosoma mansoni	tyrosine kinase	0.0072	0.3923	0.3923
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0451	0.0451
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0023	0.0451	0.0451
Echinococcus multilocularis	FTZ F1 alpha	0.0023	0.0451	0.0451
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0023	0.0451	0.0451
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0158	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0451	0.0451
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.1347	0.1347
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0023	0.0451	0.0451
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0023	0.0451	0.0451
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0052	0.2484	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0147	0.9242	0.9242
Schistosoma mansoni	RAR-like nuclear receptor	0.0023	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1347	0.1347
Plasmodium vivax	unspecified product	0.0016	0	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0147	0.9242	1
Brugia malayi	MH2 domain containing protein	0.0131	0.8081	0.8081
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0023	0.0451	0.0451
Schistosoma mansoni	tyrosine kinase	0.0158	1	1
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0072	0.3923	0.3923
Loa Loa (eye worm)	hypothetical protein	0.0112	0.6737	0.6737
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0451	0.0451
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.4242	0.4242
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0023	0.0451	0.0451
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0147	0.9242	0.9242
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0023	0.0451	0.0451
Onchocerca volvulus	Bile acid receptor homolog	0.0023	0.0451	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0451	0.0451
Schistosoma mansoni	retinoic acid receptor RXR	0.0023	0.0451	0.0451
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0112	0.6737	0.6737
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0023	0.0451	0.0451
Echinococcus granulosus	epidermal growth factor receptor	0.0072	0.3923	0.3923
Loa Loa (eye worm)	transcription factor SMAD2	0.0131	0.8081	0.8081
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0023	0.0451	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.4242	0.4242
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.1347	0.1347
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.2484	0.2484
Giardia lamblia	Cathepsin B precursor	0.0052	0.2484	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0023	0.0451	0.0451
Brugia malayi	Furin-like cysteine rich region family protein	0.0072	0.3923	0.3923
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0023	0.0451	0.0451
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0023	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0451	0.0451
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0023	0.0451	0.0451
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0023	0.0451	0.0451
Entamoeba histolytica	cysteine proteinase 1, putative	0.0016	0	0.5
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0023	0.0451	0.0451
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0016	0	0.5
Giardia lamblia	Cathepsin B precursor	0.0052	0.2484	0.5
Plasmodium vivax	vivapain-2	0.0016	0	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0023	0.0451	0.0451
Loa Loa (eye worm)	MH2 domain-containing protein	0.0131	0.8081	0.8081
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0451	0.0451
Brugia malayi	nuclear hormone receptor	0.0023	0.0451	0.0451
Schistosoma mansoni	coup transcription factor	0.0023	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0086	0.4929	0.4929
Brugia malayi	nuclear receptor NHR-88	0.0023	0.0451	0.0451
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0023	0.0451	0.0451
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0016	0	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0112	0.6737	0.6737
Schistosoma mansoni	tyrosine kinase	0.0072	0.3923	0.3923
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.1347	0.1347
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0451	0.0451
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0052	0.2484	0.2688
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Brugia malayi	ecdysteroid receptor	0.0023	0.0451	0.0451
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0072	0.3923	0.3923
Loa Loa (eye worm)	TK/INSR protein kinase	0.0158	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0023	0.0451	0.0451
Plasmodium vivax	vivapain-3	0.0016	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0023	0.0451	0.0451
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0016	0	0.5
Schistosoma mansoni	hypothetical protein	0.0035	0.1347	0.1347
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0023	0.0451	0.0451
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.1347	0.1347
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0	0.5
Brugia malayi	cathepsin B-like cysteine proteinase	0.0147	0.9242	0.9242
Plasmodium vivax	vivapain-1	0.0016	0	0.5
Schistosoma mansoni	hypothetical protein	0.0035	0.1347	0.1347
Plasmodium vivax	vivapain-2	0.0016	0	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0023	0.0451	0.0451
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0451	0.0451
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.1347	0.1347
Echinococcus multilocularis	GPCR, family 2	0.0035	0.1347	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0451	0.0451
Onchocerca volvulus	Protein ultraspiracle homolog	0.0023	0.0451	1
Brugia malayi	steroid hormone receptor	0.0023	0.0451	0.0451
Loa Loa (eye worm)	steroid hormone receptor	0.0023	0.0451	0.0451
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0023	0.0451	0.0451
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.1347	0.1347
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Echinococcus granulosus	cathepsin b	0.0147	0.9242	0.9242
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0451	0.0451
Schistosoma mansoni	tyrosine kinase	0.0071	0.3833	0.3833
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.0451	0.0451
Schistosoma mansoni	tyrosine kinase	0.0071	0.3833	0.3833
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0023	0.0451	0.0451
Brugia malayi	photoreceptor-specific nuclear receptor	0.0023	0.0451	0.0451
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0147	0.9242	0.9242
Echinococcus granulosus	cathepsin b	0.0147	0.9242	0.9242
Schistosoma mansoni	nuclear hormone receptor	0.0023	0.0451	0.0451
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0023	0.0451	0.0451
Schistosoma mansoni	hypothetical protein	0.0076	0.4242	0.4242
Echinococcus granulosus	insulin receptor	0.0158	1	1
Echinococcus multilocularis		0.0021	0.0309	0.0309
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0451	0.0451
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0147	0.9242	0.9242
Schistosoma mansoni	tyrosine kinase	0.0158	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0112	0.6737	0.6737
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0	0.5
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0016	0	0.5
Echinococcus granulosus	GPCR family 2	0.0035	0.1347	0.1347
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0023	0.0451	0.0451
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0023	0.0451	0.0451
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.0451	0.0451
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.1347	0.1347
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0023	0.0451	0.0451
Schistosoma mansoni	tyrosine kinase	0.0071	0.3833	0.3833
Echinococcus multilocularis	cathepsin b	0.0147	0.9242	0.9242
Loa Loa (eye worm)	cathepsin B	0.0052	0.2484	0.2484
Echinococcus multilocularis	insulin receptor	0.0158	1	1
Echinococcus multilocularis	cathepsin b	0.0147	0.9242	0.9242
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0052	0.2484	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0023	0.0451	0.0451
Entamoeba histolytica	cysteine protease, putative	0.0016	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2897 nM	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in SF21 cells by time resolved-fluorescent assay	ChEMBL.	21441024
Kd (binding)	= 0.000009285 M	IGF1R diphosphorilated was immobilized on a Biacore CM5 chip at 25 degrees C with 2uM K04355 and a flow rate of 30 uL/min using amine coupling at pH 4	K4DD.	No reference
k_off (binding)	= 0.01365 s-1	IGF1R diphosphorilated was immobilized on a Biacore CM5 chip at 25 degrees C with 2uM K04355 and a flow rate of 30 uL/min using amine coupling at pH 4	K4DD.	No reference

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: CHEMBL1762165

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 1522357