TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 313.412 | Formula: C18H18FN2S+
H donors: 0 H acceptors: 0 LogP: 5.04 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)[n+](C)c(s2)/C=C/c1ccc(cc1)N(C)C
InChi: 1S/C18H18FN2S/c1-20(2)15-8-4-13(5-9-15)6-11-18-21(3)16-12-14(19)7-10-17(16)22-18/h4-12H,1-3H3/q+1
InChiKey: KQYOEQYFGHCPDP-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

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
Schistosoma japonicum	Insulin-like peptide receptor precursor, putative	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	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
Echinococcus multilocularis	insulin growth factor 1 receptor beta	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 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
Schistosoma mansoni	tyrosine kinase	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
Loa Loa (eye worm)	TK/INSR protein kinase	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 japonicum	ko:K04527 insulin receptor, 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

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)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0662	0.1769
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0662	0.3032
Brugia malayi	Pre-SET motif family protein	0.0013	0.0138	0.0322
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0007	0.0069	0.0227
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0087	0.1155	0.5
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0007	0.0069	0.0227
Echinococcus multilocularis	hypothetical protein	0.0007	0.0069	0.0227
Trypanosoma brucei	protein kinase, putative	0.0008	0.0073	0.5
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0159	0.2137	0.5863
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0007	0.0069	0.0227
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0013	0.0138	0.0552
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0008	0.0073	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0767	0.2058
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0059	0.0767	0.2058
Brugia malayi	HMG box family protein	0.0027	0.0333	0.086
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0269	0.3644	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0159	0.2135	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0099	0.132	0.6144
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0087	0.1155	0.7963
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0008	0.0073	0.0143
Brugia malayi	Probable ClpP-like protease	0.0087	0.1155	0.313
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0662	0.3032
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0087	0.1155	0.5366
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0159	0.2135	1
Echinococcus granulosus	tyrosine protein kinase shark	0.0093	0.1236	0.5747
Echinococcus granulosus	mitogen activated protein kinase 15	0.0008	0.0073	0.0246
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0087	0.1155	0.7491
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0269	0.3644	1
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0269	0.3644	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0159	0.2137	1
Echinococcus granulosus	insulin receptor	0.0159	0.2135	1
Echinococcus granulosus	peptidase Clp S14 family	0.0057	0.0746	0.3429
Brugia malayi	hypothetical protein	0.0007	0.0069	0.0132
Entamoeba histolytica	hypothetical protein	0.0007	0.0069	0.0191
Onchocerca volvulus		0.0059	0.0767	0.2058
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0269	0.3644	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0073	0.0958	0.443
Schistosoma mansoni	survival motor neuron protein	0.002	0.0243	0.1049
Echinococcus multilocularis		0.0021	0.0249	0.1079
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0662	0.3032
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0013	0.0138	0.0552
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0008	0.0073	0.0246
Onchocerca volvulus		0.0013	0.0138	0.0322
Schistosoma mansoni	hypothetical protein	0.0007	0.0069	0.0227
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.003	0.0377	0.2099
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0004	0.0025	0.0019
Schistosoma mansoni	tyrosine kinase	0.0073	0.0958	0.443
Brugia malayi	GSG2	0.0007	0.0069	0.0132
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0087	0.1155	0.5
Brugia malayi	Pre-SET motif family protein	0.0087	0.1158	0.3137
Schistosoma mansoni	peptidase Clp (S14 family)	0.0087	0.1155	0.5366
Loa Loa (eye worm)	haspin protein kinase	0.0007	0.0069	0.0132
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.002	0.0243	0.0612
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0159	0.2137	0.5778
Loa Loa (eye worm)	HMG box family protein	0.0027	0.0333	0.086
Brugia malayi	hypothetical protein	0.0099	0.132	0.3584
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0662	0.3032
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0269	0.3644	0.2813
Echinococcus granulosus	cyclin dependent kinase 9	0.0008	0.0073	0.0246
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0013	0.0138	0.0552
Onchocerca volvulus		0.0058	0.0761	0.2043
Brugia malayi	Furin-like cysteine rich region family protein	0.0073	0.0958	0.2584
Trichomonas vaginalis	set domain proteins, putative	0.0099	0.1322	0.3498
Echinococcus multilocularis	epidermal growth factor receptor	0.0073	0.0958	0.443
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0269	0.3644	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0073	0.0958	0.2584
Schistosoma mansoni	serine/threonine kinase	0.0008	0.0073	0.0246
Onchocerca volvulus		0.0269	0.3644	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0013	0.0138	0.0552
Brugia malayi	Protein kinase domain containing protein	0.0088	0.117	0.317
Schistosoma mansoni	tyrosine kinase	0.0073	0.0958	0.443
Schistosoma mansoni	beta-catenin	0.0077	0.1023	0.474
Echinococcus granulosus	beta catenin	0.0077	0.1023	0.474
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0013	0.0138	0.0552
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0269	0.3644	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.1155	0.4425
Loa Loa (eye worm)	TK/INSR protein kinase	0.0159	0.2135	0.5834
Echinococcus multilocularis	tyrosine protein kinase shark	0.0093	0.1236	0.5747
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0013	0.0138	0.0552
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0159	0.2137	0.5778
Echinococcus granulosus	epidermal growth factor receptor	0.0073	0.0958	0.443
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0735	1	1
Brugia malayi	Armadillo/beta-catenin-like repeat family protein	0.0077	0.1023	0.2765
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0662	0.3032
Echinococcus multilocularis	beta catenin	0.0077	0.1023	0.474
Echinococcus granulosus	hypothetical protein	0.0124	0.1662	0.7763
Schistosoma mansoni	hypothetical protein	0.002	0.0243	0.1049
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.1155	0.6825
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0138	0.0322
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0106	0.1416	1
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0008	0.0073	0.0143
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0114	0.1518	1
Schistosoma mansoni	serine/threonine protein kinase	0.0008	0.0073	0.0246
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0159	0.2137	0.5778
Echinococcus multilocularis	protein pangolin J	0.0027	0.0333	0.1475
Schistosoma mansoni	tyrosine kinase	0.0071	0.0932	0.4309
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0008	0.0073	0.0246
Schistosoma mansoni	hypothetical protein	0.0007	0.0069	0.0227
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0662	0.3032
Echinococcus granulosus	survival motor neuron protein 1	0.0099	0.132	0.6144
Leishmania major	serine/threonine kinase-like protein, putative	0.0008	0.0073	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0159	0.2137	0.5778
Schistosoma mansoni	tyrosine kinase	0.0091	0.1207	0.5611
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0057	0.0746	0.3429
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0008	0.0073	0.5
Schistosoma mansoni	tyrosine kinase	0.0071	0.0932	0.4309
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0087	0.1155	0.5366
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0269	0.3644	1
Schistosoma mansoni	tyrosine kinase	0.0159	0.2135	1
Echinococcus granulosus	epidermal growth factor receptor	0.0073	0.0958	0.443
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0007	0.0069	0.0227
Loa Loa (eye worm)	HMP-2 protein	0.0077	0.1023	0.2765
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0008	0.0073	0.5
Giardia lamblia	Fructose-bisphosphate aldolase	0.0159	0.2137	0.5778
Onchocerca volvulus		0.0099	0.1322	0.3591
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1144	0.31
Schistosoma mansoni	tyrosine kinase	0.0159	0.2135	1
Onchocerca volvulus	Cirhin homolog	0.0077	0.1016	0.2746
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0087	0.1158	0.3137
Entamoeba histolytica	cell division protein kinase 2, putative	0.0008	0.0073	0.0202
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0057	0.0746	0.0384
Echinococcus multilocularis	cyclin dependent kinase 9	0.0008	0.0073	0.0246
Loa Loa (eye worm)	haspin protein kinase	0.0008	0.0073	0.0143
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0004	0.0021	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1155	0.313
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0159	0.2137	0.5778
Loa Loa (eye worm)	haspin protein kinase	0.0007	0.0069	0.0132
Schistosoma mansoni	tyrosine kinase	0.0073	0.0958	0.443
Schistosoma mansoni	pangolin	0.0027	0.0333	0.1475
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0007	0.0069	0.0227
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0269	0.3644	0.3131
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0269	0.3644	1
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0008	0.0073	0.5
Loa Loa (eye worm)	hypothetical protein	0.0099	0.132	0.3584
Schistosoma mansoni	tyrosine kinase	0.0071	0.0932	0.4309
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0008	0.0073	0.0246
Plasmodium falciparum	MO15-related protein kinase	0.0114	0.1518	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0159	0.2137	0.5863
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0087	0.1155	0.0809
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0012	0.0132	0.0522
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0159	0.2137	0.5778
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0662	0.1769
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0087	0.1155	0.7963
Echinococcus multilocularis	T cell transcription factor 4 long C terminal	0.0027	0.0333	0.1475
Echinococcus multilocularis	insulin receptor	0.0159	0.2135	1
Echinococcus granulosus	T cell transcription factor 4 long C terminal	0.0027	0.0333	0.1475
Toxoplasma gondii	hypothetical protein	0.003	0.0377	0.1868
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0159	0.2137	0.5778
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0008	0.0073	0.0246
Brugia malayi	Protein kinase domain containing protein	0.0159	0.2135	0.5834
Echinococcus granulosus	pangolin	0.0027	0.0333	0.1475
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0662	0.3032
Schistosoma mansoni	protein kinase	0.0008	0.0073	0.0246
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0159	0.2137	0.5778
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0073	0.0143
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0087	0.1155	0.5
Onchocerca volvulus		0.002	0.0243	0.0612
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0008	0.0073	0.5
Brugia malayi	Cell division protein kinase 2	0.0008	0.0073	0.0143
Schistosoma mansoni	tyrosine kinase	0.0093	0.1236	0.5747
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0735	1	1
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0007	0.0069	0.0227
Echinococcus granulosus	histone lysine methyltransferase setb	0.0013	0.0138	0.0552
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0073	0.0958	0.443
Entamoeba histolytica	protein kinase domain containing protein	0.0008	0.0073	0.0202
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0008	0.0073	0.5
Plasmodium vivax	SET domain protein, putative	0.0013	0.0138	0.0447
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0269	0.3644	1
Schistosoma mansoni	hypothetical protein	0.0098	0.13	0.6048
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0269	0.3644	1
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0269	0.3644	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10 nM	Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay	ChEMBL.	22285571

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: CHEMBL1944953

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 1564999