TDR Targets

Basic information

Technical information

TDR Targets ID: 1438478
Name: ZINC02622131
MW: 485.51 | Formula: C23H23N3O7S
H donors: 1 H acceptors: 5 LogP: 1.04 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C1Nc2ccccc2N(C1)C(=O)COC(=O)/C=C/c1ccc(cc1)S(=O)(=O)N1CCOCC1
InChi: 1S/C23H23N3O7S/c27-21-15-26(20-4-2-1-3-19(20)24-21)22(28)16-33-23(29)10-7-17-5-8-18(9-6-17)34(30,31)25-11-13-32-14-12-25/h1-10H,11-16H2,(H,24,27)/b10-7+
InChiKey: KBQQKQLEDCFFPX-JXMROGBWSA-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

T5226825
MLS000761472
SMR000371577

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352

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	lysosomal alpha glucosidase	0.0192	0.042	0.042
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.037	0.0837	0.0837
Echinococcus granulosus	intermediate filament protein	0.0031	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0008
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0049	0.0087	0.0634
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0072	0.0515
Trypanosoma cruzi	glycerol uptake protein, putative	0.037	0.0837	1
Schistosoma mansoni	thyroid hormone receptor	0.0155	0.0335	0.0335
Leishmania major	alpha glucosidase II subunit, putative	0.0042	0.0072	0.0753
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.037	0.0837	1
Loa Loa (eye worm)	MBOAT family protein	0.037	0.0837	0.0837
Echinococcus granulosus	neutral alpha glucosidase AB	0.0042	0.0072	0.0072
Brugia malayi	Hhat protein	0.037	0.0837	0.0837
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0016	0.001	0.0082
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0042	0.0072	0.0515
Treponema pallidum	alginate O-acetylation protein (algI)	0.037	0.0837	0.5
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.037	0.0837	0.0837
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0067	0.013	0.013
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0012	0.0012
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.037	0.0837	0.0837
Schistosoma mansoni	hypothetical protein	0.0144	0.0308	0.0308
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.09	0.2075	0.2075
Loa Loa (eye worm)	acetyltransferase	0.0165	0.0359	0.0359
Schistosoma mansoni	alpha-glucosidase	0.0165	0.0358	0.0358
Entamoeba histolytica	hypothetical protein	0.037	0.0837	1
Schistosoma mansoni	alpha glucosidase	0.0042	0.0072	0.0072
Loa Loa (eye worm)	hhat protein	0.037	0.0837	0.0837
Schistosoma mansoni	thyroid hormone receptor	0.0155	0.0335	0.0335
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0042	0.0072	0.0072
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.037	0.0837	1
Trichomonas vaginalis	conserved hypothetical protein	0.037	0.0837	0.6849
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0042	0.0072	0.0072
Trichomonas vaginalis	conserved hypothetical protein	0.037	0.0837	0.6849
Trypanosoma brucei	glycerol uptake protein, putative	0.037	0.0837	1
Loa Loa (eye worm)	hypothetical protein	0.037	0.0837	0.0837
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.037	0.0837	0.0837
Brugia malayi	MBOAT family protein	0.037	0.0837	0.0837
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0072	0.0515
Trypanosoma brucei	glucosidase, putative	0.0042	0.0072	0.0753
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0045	0.0045
Echinococcus multilocularis	muscleblind protein	0.018	0.0394	0.0394
Trypanosoma cruzi	glycerol uptake protein, putative	0.037	0.0837	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0161	0.0348	0.0348
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.013	0.013
Echinococcus granulosus	histone lysine methyltransferase setb	0.0067	0.013	0.013
Schistosoma mansoni	lamin	0.0031	0.0045	0.0045
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0155	0.0335	0.0335
Giardia lamblia	Histone acetyltransferase GCN5	0.0045	0.0077	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0468	0.1067	0.1067
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0144	0.0308	0.0308
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0072	0.0515
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.037	0.0837	0.0837
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0065	0.0124	0.0124
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0072	0.0753
Echinococcus granulosus	o acyltransferase membrane bound domain	0.037	0.0837	0.0837
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.037	0.0837	0.0837
Brugia malayi	intermediate filament protein	0.0031	0.0045	0.0045
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0072	0.0515
Loa Loa (eye worm)	hypothetical protein	0.037	0.0837	0.0837
Echinococcus granulosus	geminin	0.0193	0.0424	0.0424
Schistosoma mansoni	hypothetical protein	0.0193	0.0424	0.0424
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0006	0.0006
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.037	0.0837	0.0837
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0049	0.0087	0.0634
Echinococcus multilocularis	sterol O acyltransferase 1	0.037	0.0837	0.0837
Echinococcus granulosus	muscleblind protein	0.018	0.0394	0.0394
Loa Loa (eye worm)	hypothetical protein	0.003	0.0044	0.0044
Trichomonas vaginalis	conserved hypothetical protein	0.037	0.0837	0.6849
Onchocerca volvulus		0.0111	0.0232	0.1902
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0049	0.0087	0.0187
Schistosoma mansoni	alpha-glucosidase	0.0165	0.0358	0.0358
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.037	0.0837	0.0837
Echinococcus granulosus	o acyltransferase membrane bound domain	0.037	0.0837	0.0837
Brugia malayi	Muscleblind-like protein	0.018	0.0394	0.0394
Echinococcus multilocularis	muscleblind protein 1	0.018	0.0394	0.0394
Entamoeba histolytica	vacuolar protein sorting 26	0.037	0.0837	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0192	0.042	0.042
Trypanosoma cruzi	glycerol uptake protein, putative	0.037	0.0837	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0015	0.0008	0.0008
Trypanosoma cruzi	GUP1, putative	0.037	0.0837	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0042	0.0072	0.0072
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0144	0.0308	0.0308
Brugia malayi	MBOAT family protein	0.037	0.0837	0.0837
Onchocerca volvulus		0.037	0.0837	0.6875
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0042	0.0072	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0006	0.0006
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0192	0.042	0.042
Loa Loa (eye worm)	MBOAT family protein	0.037	0.0837	0.0837
Echinococcus multilocularis	zinc finger protein	0.3925	0.9136	0.9136
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.037	0.0837	0.0837
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.037	0.0837	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0165	0.0359	0.0359
Echinococcus multilocularis	geminin	0.0193	0.0424	0.0424
Echinococcus granulosus	sterol O acyltransferase 1	0.037	0.0837	0.0837
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0012	0.0012
Echinococcus granulosus	lamin	0.0031	0.0045	0.0045
Brugia malayi	MBOAT family protein	0.037	0.0837	0.0837
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.037	0.0837	0.0837
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0192	0.042	0.042
Loa Loa (eye worm)	hypothetical protein	0.037	0.0837	0.0837
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.037	0.0837	0.0837
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.4296	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0045	0.0045
Leishmania major	glycerol uptake protein, putative	0.037	0.0837	1
Schistosoma mansoni	zinc finger protein	0.4296	1	1
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.4296	1	1
Onchocerca volvulus		0.0533	0.1218	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.013	0.013
Schistosoma mansoni	lamin	0.0031	0.0045	0.0045
Brugia malayi	acetyltransferase, GNAT family protein	0.0165	0.0359	0.0359
Trichomonas vaginalis	set domain proteins, putative	0.0533	0.1218	1
Onchocerca volvulus		0.0067	0.013	0.1067
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.0072	0.0753
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0045	0.0045
Entamoeba histolytica	hypothetical protein, conserved	0.037	0.0837	1
Schistosoma mansoni	hypothetical protein	0.037	0.0837	0.0837
Echinococcus multilocularis	musashi	0.0031	0.0045	0.0045
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0045	0.0045
Loa Loa (eye worm)	hhat protein	0.037	0.0837	0.0837
Loa Loa (eye worm)	hypothetical protein	0.018	0.0394	0.0394
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0049	0.0087	0.0187
Brugia malayi	Pre-SET motif family protein	0.0067	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0016	0.001	0.001
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.037	0.0837	1
Echinococcus granulosus	lamin dm0	0.0031	0.0045	0.0045
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0192	0.042	0.042
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0042	0.0072	0.0515
Trypanosoma brucei	glycerol uptake protein, putative	0.037	0.0837	1
Schistosoma mansoni	sterol O-acyltransferase 1	0.037	0.0837	0.0837
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.037	0.0837	0.0837
Brugia malayi	Pre-SET motif family protein	0.0468	0.1067	0.1067
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0042	0.0072	0.0515
Echinococcus multilocularis	lamin dm0	0.0031	0.0045	0.0045
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.037	0.0837	1
Leishmania major	hypothetical protein, conserved	0.037	0.0837	1
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.037	0.0837	1
Onchocerca volvulus		0.0031	0.0045	0.0369
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0016	0.001	0.001
Trichomonas vaginalis	transmembrane protein nessy, putative	0.037	0.0837	0.6849
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.037	0.0837	0.0837
Trichomonas vaginalis	porcupine, putative	0.037	0.0837	0.6849
Leishmania major	glycerol uptake protein, putative	0.037	0.0837	1
Loa Loa (eye worm)	MBOAT family protein	0.4296	1	1
Onchocerca volvulus		0.0031	0.0045	0.0369
Leishmania major	glycerol uptake protein, putative	0.037	0.0837	1
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.037	0.0837	0.0837
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.037	0.0837	0.0837
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0072	0.0515
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.037	0.0837	0.0837
Leishmania major	glycerol uptake protein, putative	0.037	0.0837	1
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.037	0.0837	0.0837
Echinococcus granulosus	zinc finger protein	0.3925	0.9136	0.9136
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0049	0.0087	0.0087
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0072	0.0753
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.0072	0.0753
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0045	0.0045
Toxoplasma gondii	hypothetical protein	0.037	0.0837	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0067	0.013	0.013
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.037	0.0837	1
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.037	0.0837	0.0837
Trypanosoma cruzi	GUP1, putative	0.037	0.0837	1
Echinococcus multilocularis	lamin	0.0031	0.0045	0.0045
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0067	0.013	0.013
Leishmania major	glycerol uptake protein, putative	0.037	0.0837	1
Brugia malayi	MBOAT family protein	0.037	0.0837	0.0837
Entamoeba histolytica	acetyltransferase, GNAT family	0.0045	0.0077	0.0811
Plasmodium vivax	SET domain protein, putative	0.0067	0.013	0.0578
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0165	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.037	0.0837	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0067	0.013	0.013
Schistosoma mansoni	hypothetical protein	0.0193	0.0424	0.0424
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0015	0.0008	0.0008
Echinococcus granulosus	o acyltransferase membrane bound domain	0.037	0.0837	0.0837
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0067	0.013	0.0754
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.037	0.0837	0.0837
Brugia malayi	diacylglycerol acyltransferase	0.037	0.0837	0.0837
Loa Loa (eye worm)	hypothetical protein	0.018	0.0394	0.0394

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	15.8489 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1603715

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1438478