TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 473.479 | Formula: C24H16FN5O3S
H donors: 2 H acceptors: 4 LogP: 3.94 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1sc2c(n1)ccc(c2)F)CNC(=O)c1nn(c2ccccc2)c(=O)c2c1cccc2
InChi: 1S/C24H16FN5O3S/c25-14-10-11-18-19(12-14)34-24(27-18)28-20(31)13-26-22(32)21-16-8-4-5-9-17(16)23(33)30(29-21)15-6-2-1-3-7-15/h1-12H,13H2,(H,26,32)(H,27,28,31)
InChiKey: CIHYVBZXPUTJRV-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
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
Loa Loa (eye worm)	MBOAT family protein	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
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 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
Schistosoma mansoni	sterol O-acyltransferase 1	0.0026	0.0083	0.0257
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.01	0.0308
Brugia malayi	glutaminase DH11.1	0.0315	0.324	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.01	0.0234
Echinococcus granulosus	Niemann Pick C1 protein	0.0113	0.104	0.3387
Loa Loa (eye worm)	glutaminase 2	0.0315	0.324	1
Echinococcus multilocularis	muscleblind protein	0.0172	0.1681	0.1681
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0026	0.0083	0.0271
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0083	0.0271
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0602	0.0602
Brugia malayi	MBOAT family protein	0.0026	0.0083	0.0257
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0026	0.0083	0.0257
Brugia malayi	Niemann-Pick C1 protein precursor	0.0113	0.104	0.3209
Echinococcus granulosus	Protein patched homolog 1	0.0049	0.0333	0.1085
Trypanosoma cruzi	GUP1, putative	0.0026	0.0083	0.5
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0083	0.0083
Echinococcus granulosus	Niemann Pick C1 protein	0.0162	0.1571	0.5119
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0083	0.0257
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0026	0.0083	0.0257
Mycobacterium ulcerans	glutaminase	0.0315	0.324	1
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0083	0.0257
Trichomonas vaginalis	glutaminase, putative	0.0315	0.324	1
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0083	0.0257
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.01	0.0308
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0026	0.0083	0.0257
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0024	0.5
Brugia malayi	Muscleblind-like protein	0.0172	0.1681	0.5187
Schistosoma mansoni	hypothetical protein	0.0026	0.0083	0.0257
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.01	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0049	0.0333	0.0333
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.004	0.0244	0.0794
Loa Loa (eye worm)	hhat protein	0.0026	0.0083	0.0257
Echinococcus multilocularis	expressed conserved protein	0.0106	0.0965	0.0965
Entamoeba histolytica	hypothetical protein	0.0073	0.0602	0.5422
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.01	0.0234
Schistosoma mansoni	hypothetical protein	0.0047	0.0314	0.0968
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0026	0.0083	0.0083
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.01	1
Brugia malayi	MBOAT family protein	0.0026	0.0083	0.0257
Schistosoma mansoni	hypothetical protein	0.0073	0.0602	0.1858
Loa Loa (eye worm)	hypothetical protein	0.0027	0.01	0.0308
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0026	0.0083	0.0257
Treponema pallidum	alginate O-acetylation protein (algI)	0.0026	0.0083	0.5
Entamoeba histolytica	hypothetical protein	0.0073	0.0602	0.5422
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0113	0.104	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.023	0.0711
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0083	0.0271
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.0429	0.1323
Loa Loa (eye worm)	hypothetical protein	0.006	0.0453	0.1397
Schistosoma mansoni	patched 1	0.0049	0.0333	0.1028
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.01	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.004	0.0244	0.0752
Mycobacterium ulcerans	hypothetical protein	0.0027	0.01	0.0234
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0026	0.0083	0.5
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0026	0.0083	0.0271
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0083	0.5
Echinococcus multilocularis	protein dispatched 1	0.0056	0.0408	0.0408
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.01	0.0234
Brugia malayi	MBOAT family protein	0.0026	0.0083	0.0257
Onchocerca volvulus		0.0027	0.01	1
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0026	0.0083	0.5
Echinococcus multilocularis	muscleblind protein 1	0.0172	0.1681	0.1681
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0333	0.1028
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0083	0.0083
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.0429	0.1323
Schistosoma mansoni	hypothetical protein	0.0047	0.0314	0.0968
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0026	0.0083	0.0271
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0026	0.0083	0.0271
Schistosoma mansoni	hypothetical protein	0.0047	0.0314	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1681	0.5187
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.01	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0602	0.1961
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0026	0.0083	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.023	0.0711
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0602	0.1858
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.01	0.0234
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.004	0.0244	0.0244
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0083	0.0271
Loa Loa (eye worm)	hypothetical protein	0.002	0.0024	0.0075
Brugia malayi	MBOAT family protein	0.0299	0.307	0.9474
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0083	0.5
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0083	0.0257
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.004	0.0244	0.0794
Brugia malayi	hypothetical protein	0.0073	0.0602	0.1858
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0115	0.1059	0.3268
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.004	0.0244	0.0752
Schistosoma mansoni	zinc finger protein	0.0299	0.307	0.9474
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0083	0.0257
Schistosoma mansoni	glutaminase	0.0315	0.324	1
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0299	0.307	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0083	0.0257
Brugia malayi	Hhat protein	0.0026	0.0083	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0027	0.01	0.0308
Echinococcus granulosus	sterol regulatory element binding protein	0.0049	0.0333	0.1085
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.01	0.0173
Brugia malayi	CHE-14 protein	0.0049	0.0333	0.1028
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.0083	0.0257
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0026	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0027	0.01	0.0308
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0244	0.0752
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0083	0.0083
Echinococcus granulosus	muscleblind protein	0.0172	0.1681	0.5475
Toxoplasma gondii	hypothetical protein	0.0026	0.0083	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.0429	0.1323
Schistosoma mansoni	hypothetical protein	0.0047	0.0314	0.0968
Loa Loa (eye worm)	glutaminase	0.0315	0.324	1
Brugia malayi	diacylglycerol acyltransferase	0.0026	0.0083	0.0257
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.01	0.0234
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0024	0.139
Echinococcus granulosus	expressed conserved protein	0.0106	0.0965	0.3143
Brugia malayi	MBOAT family protein	0.0026	0.0083	0.0257
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.01	1
Echinococcus granulosus	zinc finger protein	0.0273	0.2788	0.9083
Echinococcus multilocularis	Niemann Pick C1 protein	0.0162	0.1571	0.1571
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.01	0.0234
Loa Loa (eye worm)	hypothetical protein	0.002	0.0024	0.0075
Trichomonas vaginalis	conserved hypothetical protein	0.0049	0.0333	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0083	0.0257
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0026	0.0083	0.0083
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0026	0.0083	1
Echinococcus multilocularis	zinc finger protein	0.0273	0.2788	0.2788
Loa Loa (eye worm)	hhat protein	0.0026	0.0083	0.0257
Trypanosoma cruzi	GUP1, putative	0.0026	0.0083	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.01	0.0234
Echinococcus granulosus	sterol O acyltransferase 1	0.0026	0.0083	0.0271
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.01	0.0173
Schistosoma mansoni	hypothetical protein	0.0039	0.023	0.0711
Echinococcus multilocularis	sterol O acyltransferase 1	0.0026	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1681	0.5187
Loa Loa (eye worm)	hypothetical protein	0.0113	0.104	0.3209
Loa Loa (eye worm)	hypothetical protein	0.002	0.0024	0.0075
Trypanosoma brucei	glycerol uptake protein, putative	0.0026	0.0083	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.004	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.002	0.0024	0.0075
Loa Loa (eye worm)	MBOAT family protein	0.0299	0.307	0.9474
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.01	0.0308
Trypanosoma brucei	glycerol uptake protein, putative	0.0026	0.0083	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.0113	0.104	0.104
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0026	0.0083	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0429	0.1323
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0049	0.0333	0.1028
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0026	0.0083	0.0083
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.01	0.0173
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.01	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.01	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0244	0.0752
Echinococcus multilocularis	protein patched	0.0049	0.0333	0.0333
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0083	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0244	0.0752
Entamoeba histolytica	hypothetical protein	0.0073	0.0602	0.5422
Entamoeba histolytica	hypothetical protein	0.0073	0.0602	0.5422
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0299	0.307	0.307
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.0083	0.0257
Loa Loa (eye worm)	hypothetical protein	0.002	0.0024	0.0075

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 470 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: CHEMBL2324272

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 1728138