TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 499.541 | Formula: C26H21N5O4S
H donors: 2 H acceptors: 4 LogP: 4.17 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)n1nc(C(=O)NCC(=O)Nc2nc3c(s2)cc(cc3)C)c2c(c1=O)cccc2
InChi: 1S/C26H21N5O4S/c1-15-7-12-20-21(13-15)36-26(28-20)29-22(32)14-27-24(33)23-18-5-3-4-6-19(18)25(34)31(30-23)16-8-10-17(35-2)11-9-16/h3-13H,14H2,1-2H3,(H,27,33)(H,28,29,32)
InChiKey: OCTPZOGBXMZPFC-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
Echinococcus granulosus	protein cysteine N palmitoyltransferase	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 multilocularis	protein cysteine N palmitoyltransferase	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
Loa Loa (eye worm)	MBOAT family protein	Get druggable targets OG5_133309	All targets in OG5_133309
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
Echinococcus granulosus	zinc finger protein	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
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0143	0.0346
Onchocerca volvulus		0.0026	0.0143	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0768	1
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0026	0.0143	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0271	0.0655
Trypanosoma cruzi	GUP1, putative	0.0026	0.0143	0.1545
Brugia malayi	Inositol-1	0.0037	0.0314	0.0757
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0026	0.0143	0.0143
Brugia malayi	Hhat protein	0.0026	0.0143	0.0346
Leishmania major	cathepsin L-like protease	0.0068	0.0768	1
Brugia malayi	diacylglycerol acyltransferase	0.0026	0.0143	0.0346
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0063	0.0681	0.8824
Trichomonas vaginalis	porcupine, putative	0.0026	0.0143	0.4012
Entamoeba histolytica	hypothetical protein	0.0036	0.03	0.9501
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.0029	0.007
Trypanosoma cruzi	GUP1, putative	0.0026	0.0143	0.1545
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.0029	0.007
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0026	0.0143	0.0143
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0314	1
Leishmania major	glycerol uptake protein, putative	0.0026	0.0143	0.1545
Loa Loa (eye worm)	cysteine protease	0.0018	0.0029	0.007
Loa Loa (eye worm)	fibroinase	0.0018	0.0029	0.007
Trypanosoma cruzi	major cysteine proteinase, putative	0.0054	0.0554	0.7098
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0026	0.0143	0.0143
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0029	0.0029
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0026	0.0143	0.0346
Entamoeba histolytica	hypothetical protein	0.0036	0.03	0.9501
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0143	0.0143
Echinococcus granulosus	sterol O acyltransferase 1	0.0026	0.0143	0.0143
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0029	0.0029
Trypanosoma cruzi	cruzipain precursor, putative	0.0068	0.0768	1
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0026	0.0143	0.0143
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0143	0.1545
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0143	0.0143
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Brugia malayi	MBOAT family protein	0.0026	0.0143	0.0346
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0314	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0143	0.0346
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0143	0.1545
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.007
Leishmania major	glycerol uptake protein, putative	0.0026	0.0143	0.1545
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0314	1
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.007
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0143	0.0143
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0026	0.0143	0.4012
Entamoeba histolytica	hypothetical protein	0.0036	0.03	0.9501
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0314	0.2727
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0026	0.0143	0.4012
Echinococcus granulosus	zinc finger protein	0.0273	0.3767	0.3767
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Brugia malayi	MBOAT family protein	0.0026	0.0143	0.0346
Schistosoma mansoni	hypothetical protein	0.0036	0.03	0.03
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.007
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0026	0.0143	0.0346
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.007
Leishmania major	glycerol uptake protein, putative	0.0026	0.0143	0.1545
Echinococcus multilocularis	sterol O acyltransferase 1	0.0026	0.0143	0.0143
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0314	1
Entamoeba histolytica	vacuolar protein sorting 26	0.0026	0.0143	0.4012
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0029	0.0029
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.0029	0.0029
Treponema pallidum	alginate O-acetylation protein (algI)	0.0026	0.0143	0.5
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.0143	0.4012
Loa Loa (eye worm)	hhat protein	0.0026	0.0143	0.0346
Leishmania major	glycerol uptake protein, putative	0.0026	0.0143	0.1545
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0029	0.0029
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.0143	0.0346
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0314	0.0314
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.03	0.03
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0143	0.1545
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0029	0.0029
Leishmania major	cathepsin L-like protease	0.0068	0.0768	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0505	0.1219
Leishmania major	hypothetical protein, conserved	0.0026	0.0143	0.1545
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0029	0.007
Brugia malayi	hypothetical protein	0.0036	0.03	0.0723
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0143	0.4012
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0026	0.0143	1
Brugia malayi	MBOAT family protein	0.0026	0.0143	0.0346
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0314	1
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0143	0.0143
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0026	0.0143	0.0143
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.0143	0.4012
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0026	0.0143	0.0143
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0314	0.5
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0143	0.0143
Brugia malayi	MBOAT family protein	0.0026	0.0143	0.0346
Schistosoma mansoni	sterol O-acyltransferase 1	0.0026	0.0143	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0143	0.0346
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0505	0.1219
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0143	0.0143
Schistosoma mansoni	zinc finger protein	0.0299	0.4144	0.4144
Schistosoma mansoni	hypothetical protein	0.0035	0.0271	0.0271
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Loa Loa (eye worm)	inositol-1	0.0037	0.0314	0.0757
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.0029	0.007
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0314	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0143	0.4012
Entamoeba histolytica	hypothetical protein	0.0026	0.0143	0.4012
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0314	0.3851
Loa Loa (eye worm)	ctsf protein	0.0018	0.0029	0.007
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0314	1
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0026	0.0143	0.4012
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0143	0.4012
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0026	0.0143	0.0143
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.03	0.03
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.0143	0.4012
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0256	0.5
Echinococcus multilocularis	zinc finger protein	0.0273	0.3767	0.3767
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0029	0.0029
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0026	0.0143	0.0143
Echinococcus multilocularis	cysteine protease	0.0018	0.0029	0.0029
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.007
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0143	0.0143
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0143	0.0143
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Entamoeba histolytica	hypothetical protein	0.0036	0.03	0.9501
Leishmania major	glycerol uptake protein, putative	0.0026	0.0143	0.1545
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0768	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0505	0.1219
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.0029	0.0029
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.0143	0.0346
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0026	0.0143	0.0143
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.03	0.03
Echinococcus multilocularis	cysteine protease	0.0018	0.0029	0.0029
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0505	0.1219
Loa Loa (eye worm)	hhat protein	0.0026	0.0143	0.0346
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0271	0.0655
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0314	0.3851
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0299	0.4144	0.4144
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0314	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0143	0.0346
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0143	0.0143
Loa Loa (eye worm)	MBOAT family protein	0.0299	0.4144	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0314	0.3851
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0314	0.0314
Toxoplasma gondii	hypothetical protein	0.0026	0.0143	0.4012
Entamoeba histolytica	hypothetical protein, conserved	0.0026	0.0143	0.4012
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0768	1
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0026	0.0143	1
Schistosoma mansoni	hypothetical protein	0.0026	0.0143	0.0143
Echinococcus granulosus	cathepsin l1	0.0018	0.0029	0.0029
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0768	1
Brugia malayi	MBOAT family protein	0.0299	0.4144	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0256	0.5
Leishmania major	cathepsin L-like protease	0.0068	0.0768	1
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0299	0.4144	0.4144
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0026	0.0143	0.0143
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0029	0.007

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 25 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: CHEMBL2322622

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 1724277