TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 447.614 | Formula: C30H27N2S+
H donors: 0 H acceptors: 0 LogP: 8.16 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1ccc(cc1)/C=C/c1sc2c([n+]1Cc1ccccc1c1ccccc1)cccc2)C
InChi: 1S/C30H27N2S/c1-31(2)26-19-16-23(17-20-26)18-21-30-32(28-14-8-9-15-29(28)33-30)22-25-12-6-7-13-27(25)24-10-4-3-5-11-24/h3-21H,22H2,1-2H3/q+1
InChiKey: DSYITRPJKFHTFC-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
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
Schistosoma japonicum	IPR000494,EGF receptor, L domain,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
Loa Loa (eye worm)	TK/INSR protein kinase	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 mansoni	tyrosine kinase	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 japonicum	IPR008957,Fibronectin, type III-like fold,domain-containing	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
Loa Loa (eye worm)	hypothetical protein	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
Echinococcus granulosus	insulin receptor	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

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
Toxoplasma gondii	heat shock protein 90, putative	0.0112	0.5883	1
Trichomonas vaginalis	heat shock protein, putative	0.0112	0.5883	1
Schistosoma mansoni	tyrosine kinase	0.0072	0.2323	0.2323
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0089	0.3853	0.5
Echinococcus multilocularis	epidermal growth factor receptor	0.0072	0.2323	0.2323
Trichomonas vaginalis	heat shock protein, putative	0.0089	0.3853	0.655
Echinococcus granulosus	epidermal growth factor receptor	0.0072	0.2323	0.2323
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Entamoeba histolytica	heat shock protein 90, putative	0.0112	0.5883	1
Trypanosoma brucei	heat shock protein, putative	0.0112	0.5883	1
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Trypanosoma brucei	heat shock protein, putative	0.0112	0.5883	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0089	0.3853	0.655
Trypanosoma cruzi	heat shock protein 85, putative	0.0112	0.5883	1
Schistosoma mansoni	tyrosine kinase	0.0071	0.2209	0.2209
Echinococcus multilocularis	epidermal growth factor receptor	0.0072	0.2323	0.2323
Schistosoma mansoni	tyrosine kinase	0.0158	1	1
Trypanosoma brucei	heat shock protein, putative	0.0112	0.5883	1
Toxoplasma gondii	heat shock protein HSP90	0.0112	0.5883	1
Schistosoma mansoni	endoplasmin	0.0112	0.5883	0.5883
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0066	0.1799	0.3058
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0158	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0112	0.5883	1
Trichomonas vaginalis	heat shock protein, putative	0.0089	0.3853	0.655
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0072	0.2323	0.2323
Trypanosoma brucei	heat shock protein, putative	0.0112	0.5883	1
Schistosoma mansoni	tyrosine kinase	0.0071	0.2209	0.2209
Trypanosoma brucei	heat shock protein, putative	0.0112	0.5883	1
Loa Loa (eye worm)	endoplasmin	0.0112	0.5883	0.5883
Treponema pallidum	heat shock protein 90	0.0089	0.3853	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0069	0.203	0.345
Echinococcus multilocularis	heat shock protein 90	0.0112	0.5883	0.5883
Trypanosoma brucei	heat shock protein 90, putative	0.0112	0.5883	1
Schistosoma mansoni	endoplasmin	0.0112	0.5883	0.5883
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Trypanosoma brucei	heat shock protein, putative	0.0112	0.5883	1
Plasmodium vivax	heat shock protein 86, putative	0.0112	0.5883	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0089	0.3853	0.655
Trypanosoma cruzi	heat shock protein 85, putative	0.0112	0.5883	1
Brugia malayi	Endoplasmin precursor	0.0112	0.5883	0.5883
Trypanosoma cruzi	heat shock protein 85, putative	0.0112	0.5883	1
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0089	0.3853	0.3853
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0089	0.3853	0.5
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.3593	0.3593
Plasmodium falciparum	heat shock protein 90	0.0112	0.5883	1
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Echinococcus granulosus	heat shock protein	0.0112	0.5883	0.5883
Schistosoma mansoni	tyrosine kinase	0.0072	0.2323	0.2323
Echinococcus granulosus	heat shock protein 90	0.0089	0.3853	0.3853
Schistosoma mansoni	tyrosine kinase	0.0072	0.2323	0.2323
Schistosoma mansoni	heat shock protein	0.0112	0.5883	0.5883
Echinococcus multilocularis	heat shock protein	0.0112	0.5883	0.5883
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Trypanosoma brucei	heat shock protein 90, putative	0.0112	0.5883	1
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Plasmodium falciparum	endoplasmin, putative	0.0069	0.203	0.345
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Echinococcus granulosus	endoplasmin	0.0089	0.3853	0.3853
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0112	0.5883	1
Entamoeba histolytica	heat shock protein 90, putative	0.0112	0.5883	1
Echinococcus multilocularis	endoplasmin	0.0089	0.3853	0.3853
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Echinococcus granulosus	epidermal growth factor receptor	0.0072	0.2323	0.2323
Schistosoma mansoni	tyrosine kinase	0.0158	1	1
Echinococcus multilocularis	heat shock protein 90	0.0089	0.3853	0.3853
Plasmodium vivax	endoplasmin, putative	0.0112	0.5883	1
Trichomonas vaginalis	endoplasmin, putative	0.0069	0.203	0.345
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0089	0.3853	0.5
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Echinococcus multilocularis	insulin receptor	0.0158	1	1
Loa Loa (eye worm)	heat shock protein 90	0.0112	0.5883	0.5883
Trypanosoma brucei	heat shock protein, putative	0.0112	0.5883	1
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0072	0.2323	0.2323
Brugia malayi	heat shock protein 90	0.0112	0.5883	0.5883
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0158	1	1
Brugia malayi	Protein kinase domain containing protein	0.0087	0.3707	0.3707
Trypanosoma brucei	heat shock protein, putative	0.0112	0.5883	1
Brugia malayi	Furin-like cysteine rich region family protein	0.0072	0.2323	0.2323
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Loa Loa (eye worm)	TK/INSR protein kinase	0.0158	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0089	0.3853	0.655
Echinococcus granulosus	heat shock protein 90	0.0112	0.5883	0.5883
Echinococcus granulosus	insulin receptor	0.0158	1	1
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0046	0	0.5
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0112	0.5883	1
Schistosoma mansoni	tyrosine kinase	0.0071	0.2209	0.2209
Mycobacterium ulcerans	heat shock protein 90	0.0089	0.3853	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0089	0.3853	0.655
Schistosoma mansoni	heat shock protein	0.0112	0.5883	0.5883
Leishmania major	heat shock protein 83-1	0.0112	0.5883	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0112	0.5883	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 80 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: CHEMBL1944968

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 1602574