TDR Targets

Basic information

Technical information

TDR Targets ID: 769971
Name: 5-(4-chlorophenyl)-3-hydroxy-1-(3-morpholin-4 -ylpropyl)-4-(thiophene-2-carbonyl)-5H-pyrrol -2-one
MW: 446.947 | Formula: C22H23ClN2O4S
H donors: 1 H acceptors: 3 LogP: 3.65 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=C1C(=O)c1cccs1)O
InChi: 1S/C22H23ClN2O4S/c23-16-6-4-15(5-7-16)19-18(20(26)17-3-1-14-30-17)21(27)22(28)25(19)9-2-8-24-10-12-29-13-11-24/h1,3-7,14,19,27H,2,8-13H2
InChiKey: JXJNFCGDAPHPRT-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

5-(4-chlorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one
5-(4-chlorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-[oxo-(2-thienyl)methyl]-5H-pyrrol-2-one
5-(4-chlorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(thiophene-2-carbonyl)-3-pyrrolin-2-one
5-(4-chlorophenyl)-3-hydroxy-1-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylcarbonyl-5H-pyrrol-2-one
Oprea1_025937
STOCK2S-26533
BAS 03302490
Oprea1_485110

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	ap endonuclease	0.0037	0.0621	0.068
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0188	0.0188
Schistosoma mansoni	hypothetical protein	0.0123	0.336	0.3677
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0087	0.0087
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0621	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0166	0.4763	0.5212
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0109	0.2921	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0188	0.0188
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.169	0.185
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0621	0.1143
Loa Loa (eye worm)	bromodomain containing protein	0.0019	0.0021	0.0023
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0166	0.4763	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0037	0.0621	0.068
Schistosoma mansoni	bromodomain containing protein	0.0067	0.158	0.1729
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.2339	0.2974
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0621	1
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.3677	0.4024
Loa Loa (eye worm)	transcription factor SMAD2	0.0256	0.7659	0.8381
Plasmodium falciparum	importin beta, putative	0.0028	0.0328	0.0514
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0057	0.1259	0.2506
Toxoplasma gondii	hypothetical protein	0.0057	0.1259	0.2506
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0123	0.336	0.336
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0645	0.0645
Schistosoma mansoni	hypothetical protein	0.0302	0.9138	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0166	0.4763	0.4763
Brugia malayi	TAR-binding protein	0.0071	0.169	0.2117
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.2339	0.2339
Echinococcus granulosus	snurportin 1	0.0302	0.9138	0.9138
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0109	0.2921	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0621	0.1143
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0621	1
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0122	0.0134
Echinococcus multilocularis	zinc finger protein	0.0021	0.0086	0.0086
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0037	0.0621	1
Entamoeba histolytica	hypothetical protein	0.0023	0.0155	0.1277
Schistosoma mansoni	importin beta-1	0.0028	0.0328	0.0359
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0155	0.1277
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0109	0.2921	0.4744
Brugia malayi	Bromodomain containing protein	0.008	0.198	0.25
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0166	0.4763	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.2339	0.2339
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.169	0.169
Loa Loa (eye worm)	RNA binding protein	0.0071	0.169	0.185
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0328	0.0359
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.3677	0.4024
Onchocerca volvulus		0.0048	0.0966	0.5
Schistosoma mansoni	hypothetical protein	0.0022	0.0122	0.0134
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0188	0.0205
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0302	0.9138	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.2339	0.256
Echinococcus multilocularis	tumor protein p63	0.0329	1	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0087	0.0087
Brugia malayi	MH2 domain containing protein	0.0256	0.7659	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0328	0.0514
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.169	0.185
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0063	0.1458	0.1458
Echinococcus granulosus	zinc finger protein	0.0021	0.0086	0.0086
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0328	0.0328
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.2339	0.256
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0645	0.0645
Schistosoma mansoni	ap endonuclease	0.0037	0.0621	0.068
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.169	0.185
Loa Loa (eye worm)	hypothetical protein	0.0166	0.4763	0.5212
Brugia malayi	RNA binding protein	0.0071	0.169	0.2117
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0621	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0166	0.4763	1
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0966	0.1057
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0037	0.0621	0.0621
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0037	0.0621	0.0621
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0057	0.1259	0.2506
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0328	0.45
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0155	0.1277
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.169	0.2117
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0166	0.4763	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0123	0.336	0.336
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0155	0.1277
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0875	0.0957
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.2339	0.2339
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0057	0.1259	0.1539
Brugia malayi	Importin beta-1 subunit	0.0028	0.0328	0.0318
Echinococcus granulosus	tar DNA binding protein	0.0071	0.169	0.169
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0109	0.2921	0.2921
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0155	0.1277
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.2339	0.2339
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0132	0.3677	0.3677
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0166	0.4763	0.5
Echinococcus multilocularis	snurportin 1	0.0302	0.9138	0.9138
Schistosoma mansoni	ran	0.0021	0.0087	0.0096
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0166	0.4763	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0166	0.4763	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0063	0.1458	0.1458
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.169	0.185
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0166	0.4763	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1834	0.2007
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0166	0.4763	0.4763
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.2339	0.256
Toxoplasma gondii	exonuclease III APE	0.0037	0.0621	0.1143
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.169	0.185
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0729	0.0797
Brugia malayi	RNA, U transporter 1	0.0081	0.2006	0.2535
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0328	0.45
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0087	0.0096
Schistosoma mansoni	ran	0.0021	0.0087	0.0096
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.169	0.185
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0037	0.0621	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0166	0.4763	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0037	0.0621	0.0706
Brugia malayi	Probable ClpP-like protease	0.0166	0.4763	0.6175
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0155	0.1277
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0166	0.4763	1
Brugia malayi	Bromodomain containing protein	0.0041	0.0726	0.0844
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0328	0.0328
Brugia malayi	PHD-finger family protein	0.0026	0.0269	0.0239
Echinococcus granulosus	peptidase Clp S14 family	0.0109	0.2921	0.2921
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0037	0.0621	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0809	0.0886
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.2339	0.256
Loa Loa (eye worm)	MH2 domain-containing protein	0.0256	0.7659	0.8381
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0966	0.1057
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0037	0.0621	1
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0328	0.0514
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0166	0.4763	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.169	0.185
Schistosoma mansoni	zinc finger protein	0.0021	0.0086	0.0094

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 769971