TDR Targets

Basic information

Technical information

TDR Targets ID: 877324
Name: 5-(4-chlorophenyl)-4-(furan-2-carbonyl)-3-hyd roxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5H-p yrrol-2-one
MW: 466.894 | Formula: C23H15ClN2O5S
H donors: 1 H acceptors: 4 LogP: 5.34 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)c1ccco1
InChi: 1S/C23H15ClN2O5S/c1-30-14-8-9-15-17(11-14)32-23(25-15)26-19(12-4-6-13(24)7-5-12)18(21(28)22(26)29)20(27)16-3-2-10-31-16/h2-11,19,28H,1H3
InChiKey: NMXIUSGRLXTBPG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

5-(4-chlorophenyl)-4-(2-furyl-oxomethyl)-3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5H-pyrrol-2-one
5-(4-chlorophenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrolin-2-one
5-(4-chlorophenyl)-4-furan-2-ylcarbonyl-3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5H-pyrrol-2-one
STOCK3S-43864

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase kinase kinase 5	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	Mitogen-activated protein kinase kinase kinase 15, putative	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma mansoni	protein kinase	Get druggable targets OG5_130258	All targets in OG5_130258
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	Get druggable targets OG5_130258	All targets in OG5_130258
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	ko:K04426 mitogen-activated protein kinase kinase kinase 5, putative	Get druggable targets OG5_130258	All targets in OG5_130258
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	Get druggable targets OG5_130258	All targets in OG5_130258
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	Mitogen-activated protein kinase kinase kinase 15, putative	Get druggable targets OG5_130258	All targets in OG5_130258
Brugia malayi	Neuronal symmetry protein 1	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma mansoni	protein kinase	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	expressed protein	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	IPR010993,Sterile alpha motif homology,domain-containing	Get druggable targets OG5_130258	All targets in OG5_130258
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	Get druggable targets OG5_130258	All targets in OG5_130258
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130258	All targets in OG5_130258

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
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.1119	0.1165
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0041	0.1004	0.0909
Echinococcus granulosus	mitogen activated protein kinase 3	0.0045	0.1119	0.1025
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0026	0.0566	0.0466
Loa Loa (eye worm)	bromodomain containing protein	0.0015	0.0253	0.0153
Plasmodium falciparum	importin beta, putative	0.0032	0.0739	1
Onchocerca volvulus		0.0051	0.1293	0.2056
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0205	0.0103
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0014	0.0205	0.0141
Giardia lamblia	Kinase, CMGC MAPK	0.0045	0.1119	1
Brugia malayi	Neuronal symmetry protein 1	0.025	0.7172	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0675	0.0586
Schistosoma mansoni	hypothetical protein	0.003	0.0675	0.0586
Echinococcus granulosus	muscleblind protein	0.0149	0.4196	0.4135
Schistosoma mansoni	hypothetical protein	0.0014	0.0205	0.0103
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0031	0.0723	0.0625
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0739	0.3951
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0561	0.1998
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0014	0.0205	0.0101
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1146	0.1052
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0041	0.1004	0.0925
Brugia malayi	Latrophilin receptor protein 2	0.0014	0.0205	0.0141
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0026	0.0566	0.0474
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0785	0.0699
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.002	0.0378	0.0277
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0015	0.0237	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1004	0.0925
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1146	0.1071
Schistosoma mansoni	transcription factor LCR-F1	0.0031	0.0723	0.0636
Schistosoma mansoni	bromodomain containing protein	0.0055	0.1424	0.1357
Plasmodium vivax	SET domain protein, putative	0.0026	0.0566	0.3026
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0015	0.0237	0.0134
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0181	0.5144	0.5182
Echinococcus granulosus	mitogen activated protein kinase	0.0045	0.1119	0.1025
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0561	0.0131
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0041	0.1004	0.0925
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0045	0.1119	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0014	0.0205	0.0101
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.1119	0.1043
Entamoeba histolytica	hypothetical protein	0.0031	0.0723	1
Onchocerca volvulus		0.0206	0.5882	1
Entamoeba histolytica	hypothetical protein	0.0031	0.0723	1
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0739	0.0641
Entamoeba histolytica	hypothetical protein	0.0031	0.0723	1
Brugia malayi	PHD-finger family protein	0.0022	0.0439	0.0473
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2016	0.1965
Brugia malayi	Pre-SET motif family protein	0.0181	0.5144	0.713
Brugia malayi	hypothetical protein	0.0031	0.0723	0.0875
Entamoeba histolytica	hypothetical protein	0.0026	0.0561	0.3028
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.1293	0.1222
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0045	0.1119	0.5018
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0014	0.0205	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0895	0.0812
Echinococcus granulosus	GPCR family 2	0.0014	0.0205	0.0101
Onchocerca volvulus		0.0026	0.0566	0.0799
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0739	0.6605
Brugia malayi	Bromodomain containing protein	0.0065	0.1725	0.2293
Echinococcus multilocularis	GPCR, family 2	0.0014	0.0205	0.0101
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0739	0.6605
Brugia malayi	MAP kinase sur-1	0.0045	0.1119	0.1435
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1146	0.1052
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0026	0.0566	0.1195
Schistosoma mansoni	hypothetical protein	0.0014	0.0205	0.0103
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0491	0.4388
Schistosoma mansoni	hypothetical protein	0.0014	0.0205	0.0103
Schistosoma mansoni	hypothetical protein	0.0013	0.0192	0.009
Schistosoma mansoni	ran	0.0023	0.0491	0.0397
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0561	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0249	0.7149	0.7244
Loa Loa (eye worm)	PHD-finger family protein	0.0018	0.0329	0.0231
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0026	0.0566	0.0474
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0031	0.0722	0.0624
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1146	0.1071
Trichomonas vaginalis	set domain proteins, putative	0.0206	0.5882	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.002	0.0378	0.0282
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0739	0.0641
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0561	0.0131
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0491	0.0547
Schistosoma mansoni	ran	0.0023	0.0491	0.0397
Schistosoma mansoni	hypothetical protein	0.0031	0.0723	0.0636
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.0076	0.2039	0.1989
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0045	0.1119	0.1025
Echinococcus multilocularis	muscleblind protein 1	0.0149	0.4196	0.4135
Schistosoma mansoni	protein kinase	0.025	0.7172	0.7268
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1615	0.1554
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0015	0.0237	0.0137
Echinococcus multilocularis	zinc finger protein	0.0017	0.0302	0.02
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0739	1
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.1119	0.1165
Echinococcus multilocularis	muscleblind protein	0.0149	0.4196	0.4135
Entamoeba histolytica	hypothetical protein	0.0031	0.0723	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0045	0.1119	0.1025
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0031	0.0723	0.0625
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1146	0.1071
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0076	0.2039	1
Schistosoma mansoni	hypothetical protein	0.034	0.9829	1
Brugia malayi	Importin beta-1 subunit	0.0032	0.0739	0.0898
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0052	0.1332	0.1241
Trypanosoma brucei	protein kinase, putative	0.0045	0.1119	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0045	0.1119	1
Brugia malayi	latrophilin 2 splice variant baaae	0.003	0.0675	0.0806
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0739	0.0652
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1146	0.1052
Echinococcus granulosus	snurportin 1	0.034	0.9829	0.9827
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0045	0.1119	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0149	0.4196	0.4207
Schistosoma mansoni	protein kinase	0.025	0.7172	0.7268
Brugia malayi	Pre-SET motif family protein	0.0026	0.0566	0.0653
Echinococcus granulosus	zinc finger protein	0.0017	0.0302	0.02
Leishmania major	GTP-binding protein, putative	0.0023	0.0491	0.3223
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0491	0.1617
Schistosoma mansoni	hypothetical protein	0.0014	0.0205	0.0103
Echinococcus multilocularis	snurportin 1	0.034	0.9829	0.9827
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0045	0.1119	0.5018
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.034	0.9829	1
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.025	0.7172	0.7142
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1293	0.1222
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0491	0.0397
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0561	0.3983
Schistosoma mansoni	hypothetical protein	0.0018	0.0329	0.0231
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0491	0.1617
Brugia malayi	Bromodomain containing protein	0.0033	0.0783	0.096
Echinococcus granulosus	histone lysine methyltransferase setb	0.0041	0.1004	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0846	0.0762
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0031	0.0722	0.0624
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1146	0.1071
Schistosoma mansoni	importin beta-1	0.0032	0.0739	0.0652
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0025	0.0538	0.0438
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0052	0.1332	0.1241
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0491	0.039
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1146	0.1473
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0014	0.0205	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0149	0.4196	0.4207
Brugia malayi	RNA, U transporter 1	0.0091	0.2471	0.3349
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0043	0.108	0.1379
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1146	0.1052
Echinococcus multilocularis	tumor protein p63	0.0346	1	1
Trypanosoma brucei	ISWI complex protein	0.0013	0.0192	0.1719
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0045	0.1119	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0014	0.0205	0.0103
Brugia malayi	Muscleblind-like protein	0.0149	0.4196	0.5789
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.1119	0.1165
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.1119	0.1165
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0043	0.108	0.1379
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0076	0.2039	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0043	0.108	0.1003
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0045	0.1119	0.5018
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0045	0.1119	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0045	0.1119	0.5018
Loa Loa (eye worm)	hypothetical protein	0.0043	0.108	0.1003
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0491	0.039
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0015	0.0237	0.0134
Schistosoma mansoni	zinc finger protein	0.0013	0.0192	0.009
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.025	0.7172	0.7142
Echinococcus granulosus	fetal alzheimer antigen falz	0.002	0.0378	0.0277
Schistosoma mansoni	zinc finger protein	0.0017	0.0302	0.0203

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 39.11 %	Inhibition of recombinant ASK1 catalytic subunit (unknown origin) assessed as residual enzyme activity at 10 uM using MBP substrate and gamma-labeled 32P ATP incubated for 20 mins by liquid scintillation counting method	ChEMBL.	25882527
Activity (binding)	= 46.36 %	Inhibition of FGFR1 (unknown origin) assessed as residual enzyme activity at 10 uM using IGF-IRtide (12 to 527) substrate	ChEMBL.	25882527
Activity (binding)	= 48.06 %	Inhibition of Aurora A (unknown origin) assessed as residual enzyme activity at 10 uM using kemptide substrate	ChEMBL.	25882527
Activity (binding)	= 66.4 %	Inhibition of Tie2 (unknown origin) assessed as residual enzyme activity at 10 uM using TK Substrate 2 (poly Glu-Tyr) substrate	ChEMBL.	25882527
Activity (binding)	= 73.94 %	Inhibition of CK2 (unknown origin) assessed as residual enzyme activity at 10 uM using RRRDDDSDDD substrate peptide	ChEMBL.	25882527
Activity (binding)	= 96.78 %	Inhibition of JNK3 (unknown origin) assessed as residual enzyme activity at 10 uM using JNK3tide substrate	ChEMBL.	25882527
IC50 (binding)	= 4.2 uM	Inhibition of recombinant ASK1 catalytic subunit (unknown origin) using MBP substrate and gamma-labeled 32P ATP incubated for 20 mins by liquid scintillation counting method	ChEMBL.	25882527

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: CHEMBL3400828
Search by Saint Jude

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 877324