TDR Targets

Basic information

Technical information

TDR Targets ID: 722313
Name: 1-(3-dimethylaminopropyl)-4-(2,4-dimethyl1,3- thiazole-5-carbonyl)-3-hydroxy-5-(3-propoxyph enyl)-5H-pyrrol-2-one
MW: 457.586 | Formula: C24H31N3O4S
H donors: 1 H acceptors: 4 LogP: 4.41 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCOc1cccc(c1)C1N(CCCN(C)C)C(=O)C(=C1C(=O)c1sc(nc1C)C)O
InChi: 1S/C24H31N3O4S/c1-6-13-31-18-10-7-9-17(14-18)20-19(21(28)23-15(2)25-16(3)32-23)22(29)24(30)27(20)12-8-11-26(4)5/h7,9-10,14,20,29H,6,8,11-13H2,1-5H3
InChiKey: LEIUNCQYMWDTAG-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

1-(3-dimethylaminopropyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(3-propoxyphenyl)-5H-pyrrol-2-one
1-(3-dimethylaminopropyl)-4-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-3-hydroxy-5-(3-propoxyphenyl)-5H-pyrrol-2-one
1-(3-dimethylaminopropyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(3-propoxyphenyl)-3-pyrrolin-2-one
1-(3-dimethylaminopropyl)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-5-(3-propoxyphenyl)-5H-pyrrol-2-one

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
Onchocerca volvulus		0.0242	0.3147	1
Echinococcus multilocularis	carbonic anhydrase	0.0085	0.0822	0.0807
Schistosoma mansoni	hypothetical protein	0.0356	0.4827	0.4818
Schistosoma mansoni	microtubule-associated protein tau	0.0706	1	1
Echinococcus granulosus	carbonic anhydrase II	0.0181	0.224	0.224
Trypanosoma cruzi	polo-like protein kinase, putative	0.0097	0.0994	0.4149
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0633	0.8912	0.5
Leishmania major	carbonic anhydrase-like protein	0.0181	0.224	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.0807	0.0792
Schistosoma mansoni	carbonic anhydrase-related	0.0085	0.0822	0.0807
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.011	0.0345
Brugia malayi	Thioredoxin reductase	0.0037	0.011	0.0345
Echinococcus granulosus	carbonic anhydrase	0.0085	0.0822	0.0822
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.0117	0.01
Brugia malayi	glutathione reductase	0.0037	0.011	0.0345
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0523	0.0507
Loa Loa (eye worm)	carbonic anhydrase 3	0.0181	0.224	0.825
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0994	0.1943
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0146	0.1724	0.1834
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3985	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0097	0.0994	0.0669
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0994	0.1943
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0523	0.0507
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3985	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0085	0.0822	0.2987
Loa Loa (eye worm)	glutathione reductase	0.0037	0.011	0.0345
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0523	0.0523
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0181	0.224	1
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0633	0.8912	0.5
Schistosoma mansoni	carbonic anhydrase	0.0085	0.0822	0.0807
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0523	0.1879
Brugia malayi	Pre-SET motif family protein	0.0213	0.2712	1
Echinococcus granulosus	carbonic anhydrase	0.0085	0.0822	0.0822
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3985	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0097	0.0994	0.4149
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0523	0.1879
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0181	0.224	0.825
Schistosoma mansoni	hypothetical protein	0.0085	0.0822	0.0807
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0633	0.8912	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0822	0.2987
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0097	0.0994	0.4149
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0146	0.1724	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.0807	0.0792
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.3147	0.7744
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0633	0.8912	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0523	0.0507
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0085	0.0822	0.2987
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0093	0.0945	0.095
Treponema pallidum	fructose-bisphosphate aldolase	0.0299	0.3985	0.5
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0299	0.3985	1
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0633	0.8912	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3985	1
Echinococcus multilocularis	geminin	0.0356	0.4827	0.4818
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0093	0.0945	0.095
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0994	0.1943
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3985	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0097	0.0994	0.0979
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.0807	0.0792
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0633	0.8912	1
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0181	0.224	0.825
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0097	0.0994	0.3624
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0822	0.2987
Brugia malayi	RNA binding protein	0.0065	0.0523	0.1879
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0097	0.0994	0.3121
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0017	0.0017
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.0117	0.0117
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.0807	0.0792
Schistosoma mansoni	serine/threonine protein kinase	0.0097	0.0994	0.0979
Giardia lamblia	Fructose-bisphosphate aldolase	0.0299	0.3985	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3985	1
Toxoplasma gondii	hypothetical protein	0.0085	0.0822	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0085	0.0822	0.2987
Schistosoma mansoni	kinase	0.0049	0.0291	0.0275
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0299	0.3985	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0523	0.0507
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0523	0.0507
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0181	0.224	0.825
Echinococcus granulosus	carbonic anhydrase	0.0085	0.0822	0.0822
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0085	0.0822	0.2987
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0181	0.224	0.2227
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0633	0.8912	1
Mycobacterium tuberculosis	Probable reductase	0.0084	0.0807	0.0792
Plasmodium falciparum	carbonic anhydrase	0.0085	0.0822	0.0809
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.0807	0.0792
Brugia malayi	serine/threonine-protein kinase plk-2	0.0097	0.0994	0.3624
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3985	1
Echinococcus multilocularis	microtubule associated protein 2	0.0706	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0523	0.1879
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0633	0.8912	1
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0994	0.1943
Trypanosoma brucei	polo-like protein kinase	0.0097	0.0994	0.4149
Echinococcus multilocularis	carbonic anhydrase II	0.0181	0.224	0.2227
Echinococcus multilocularis	carbonic anhydrase	0.0085	0.0822	0.0807
Schistosoma mansoni	carbonic anhydrase-related	0.0085	0.0822	0.0807
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0523	0.0507
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0994	0.1943
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3985	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0085	0.0822	0.2987
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0994	0.1943
Schistosoma mansoni	hypothetical protein	0.0356	0.4827	0.4818
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0085	0.0822	0.2987
Schistosoma mansoni	carbonic anhydrase-related	0.0085	0.0822	0.0807
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0093	0.0945	0.1511
Echinococcus multilocularis	carbonic anhydrase	0.0085	0.0822	0.0807
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0097	0.0994	0.0994
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0523	0.1879
Plasmodium vivax	glutathione reductase, putative	0.0037	0.011	0.0104
Echinococcus granulosus	geminin	0.0356	0.4827	0.4827
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.2712	1
Toxoplasma gondii	thioredoxin reductase	0.0037	0.011	0.1154
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0822	0.2987
Trypanosoma brucei	carbonic anhydrase-like protein	0.0181	0.224	1
Brugia malayi	TAR-binding protein	0.0065	0.0523	0.1879
Mycobacterium tuberculosis	Probable oxidoreductase	0.0093	0.0945	0.095
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0994	0.1943
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0181	0.224	0.2227
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0181	0.224	1
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.011	0.0104

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

Search by Saint Jude

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 722313