TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 487.017 | Formula: C21H15ClN4O2S3
H donors: 1 H acceptors: 3 LogP: 5.04 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1nc2c(s1)cc(cc2)Cl)CSc1nc2CCSc2c(=O)n1c1ccccc1
InChi: 1S/C21H15ClN4O2S3/c22-12-6-7-14-16(10-12)31-20(23-14)25-17(27)11-30-21-24-15-8-9-29-18(15)19(28)26(21)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,23,25,27)
InChiKey: OBEVKCGNAKBNDO-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
Mus musculus	porcupine homolog (Drosophila)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	zinc finger protein	Get druggable targets OG5_133309	All targets in OG5_133309
Echinococcus multilocularis	zinc finger protein	Get druggable targets OG5_133309	All targets in OG5_133309
Loa Loa (eye worm)	MBOAT family protein	Get druggable targets OG5_133309	All targets in OG5_133309
Brugia malayi	MBOAT family protein	Get druggable targets OG5_133309	All targets in OG5_133309
Echinococcus granulosus	zinc finger protein	Get druggable targets OG5_133309	All targets in OG5_133309
Schistosoma japonicum	ko:K00181 porcupine, putative	Get druggable targets OG5_133309	All targets in OG5_133309
Echinococcus granulosus	protein cysteine N palmitoyltransferase	Get druggable targets OG5_133309	All targets in OG5_133309
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	Get druggable targets OG5_133309	All targets in OG5_133309

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
Echinococcus granulosus	tyrosine protein kinase Src42A	0.001	0.0084	0.0082
Trypanosoma brucei	glycerol uptake protein, putative	0.0026	0.0631	0.5
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0026	0.0631	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.001	0.0084	0.0082
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.0631	1
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0026	0.0631	0.0629
Echinococcus granulosus	tyrosine protein kinase Fyn	0.001	0.0084	0.0082
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0631	0.5
Toxoplasma gondii	hypothetical protein	0.0026	0.0631	0.5
Schistosoma mansoni	tyrosine kinase	0.001	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0631	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0631	0.0629
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0631	0.0629
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0631	0.0629
Echinococcus granulosus	tyrosine protein kinase Src64B	0.001	0.0084	0.0082
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0026	0.0631	0.0629
Trypanosoma brucei	glycerol uptake protein, putative	0.0026	0.0631	0.5
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0026	0.0631	0.0629
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0139	0.4516	0.4515
Schistosoma mansoni	tyrosine kinase	0.0137	0.4434	0.4434
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0631	0.0631
Schistosoma mansoni	sterol O-acyltransferase 1	0.0026	0.0631	0.0631
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0631	0.5
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0026	0.0631	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.001	0.0084	0.0082
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0026	0.0631	0.0631
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.001	0.0084	0.0082
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0631	0.5
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0026	0.0631	0.0629
Treponema pallidum	alginate O-acetylation protein (algI)	0.0026	0.0631	0.5
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0026	0.0631	0.0629
Schistosoma mansoni	tyrosine kinase	0.0007	0.0002	0.0002
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0026	0.0631	0.0629
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0026	0.0631	0.0629
Brugia malayi	MBOAT family protein	0.0026	0.0631	0.0629
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.0631	1
Echinococcus granulosus	c src tyrosine kinase	0.001	0.0084	0.0082
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0026	0.0631	0.5
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0139	0.4516	0.4515
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0026	0.0631	0.0629
Brugia malayi	MBOAT family protein	0.0026	0.0631	0.0629
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.001	0.0084	0.0082
Brugia malayi	Tyrosine-protein kinase abl-1	0.001	0.0084	0.0082
Onchocerca volvulus		0.0026	0.0631	1
Schistosoma mansoni	tyrosine kinase	0.001	0.0084	0.0084
Leishmania major	glycerol uptake protein, putative	0.0026	0.0631	0.5
Echinococcus multilocularis	zinc finger protein	0.0273	0.9117	0.9116
Entamoeba histolytica	vacuolar protein sorting 26	0.0026	0.0631	1
Loa Loa (eye worm)	SRC-1	0.001	0.0084	0.0082
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0631	0.0629
Echinococcus multilocularis	tyrosine protein kinase Abl	0.001	0.0084	0.0082
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.001	0.0084	0.0082
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0026	0.0631	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.001	0.0084	0.0084
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.001	0.0084	0.0082
Echinococcus granulosus	zinc finger protein	0.0273	0.9117	0.9116
Loa Loa (eye worm)	hhat protein	0.0026	0.0631	0.0629
Leishmania major	hypothetical protein, conserved	0.0026	0.0631	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0026	0.0631	1
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0026	0.0631	0.0631
Schistosoma mansoni	hypothetical protein	0.0026	0.0631	0.0631
Leishmania major	glycerol uptake protein, putative	0.0026	0.0631	0.5
Brugia malayi	Hhat protein	0.0026	0.0631	0.0629
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.0631	0.0629
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0631	0.0631
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.001	0.0084	0.0082
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.0631	0.0629
Brugia malayi	MBOAT family protein	0.0026	0.0631	0.0629
Echinococcus multilocularis	c src tyrosine kinase	0.001	0.0084	0.0082
Echinococcus granulosus	tyrosine protein kinase Fyn	0.001	0.0084	0.0082
Echinococcus multilocularis	sterol O acyltransferase 1	0.0026	0.0631	0.0629
Entamoeba histolytica	hypothetical protein	0.0026	0.0631	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.001	0.0084	0.0082
Schistosoma mansoni	tyrosine kinase	0.001	0.0084	0.0084
Trypanosoma cruzi	GUP1, putative	0.0026	0.0631	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.001	0.0084	0.0082
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0026	0.0631	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.001	0.0084	0.0082
Leishmania major	glycerol uptake protein, putative	0.0026	0.0631	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.001	0.0084	0.0082
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0026	0.0631	0.0629
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0631	0.0629
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0631	0.5
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0631	0.5
Schistosoma mansoni	tyrosine kinase	0.001	0.0084	0.0084
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.001	0.0084	0.0082
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0026	0.0631	0.0631
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0631	0.0631
Leishmania major	glycerol uptake protein, putative	0.0026	0.0631	0.5
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0631	0.5
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0631	0.0629
Trichomonas vaginalis	porcupine, putative	0.0026	0.0631	0.5
Brugia malayi	MBOAT family protein	0.0026	0.0631	0.0629
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0631	0.0629
Brugia malayi	diacylglycerol acyltransferase	0.0026	0.0631	0.0629
Echinococcus granulosus	sterol O acyltransferase 1	0.0026	0.0631	0.0629
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0026	0.0631	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0631	0.0629
Echinococcus granulosus	tyrosine protein kinase Lyn	0.001	0.0084	0.0082
Brugia malayi	SRC-1	0.001	0.0084	0.0082
Trypanosoma cruzi	GUP1, putative	0.0026	0.0631	0.5
Loa Loa (eye worm)	hhat protein	0.0026	0.0631	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0631	0.0629
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.0631	1
Leishmania major	glycerol uptake protein, putative	0.0026	0.0631	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 40 nM	Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay	ChEMBL.	23477365

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: CHEMBL2325509

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 1725947