TDR Targets

Basic information

Technical information

TDR Targets ID: 258891
Name: methyl (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-ch lorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydro xycyclopentyl]hept-5-enoate
MW: 438.942 | Formula: C23H31ClO6
H donors: 3 H acceptors: 4 LogP: 3 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O
InChi: 1S/C23H31ClO6/c1-29-23(28)10-5-3-2-4-9-19-20(22(27)14-21(19)26)12-11-17(25)15-30-18-8-6-7-16(24)13-18/h2,4,6-8,11-13,17,19-22,25-27H,3,5,9-10,14-15H2,1H3/b4-2-,12-11+/t17-,19-,20-,21+,22-/m1/s1
InChiKey: DVBATKLFQCCUII-OWEKAKITSA-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

methyl (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoate
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid methyl ester
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid methyl ester
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid methyl ester

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
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0045	0.0372	0.0447
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0164	0.1895	0.1691
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0261	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0261	0.076
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0434	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0261	0.076
Schistosoma mansoni	hypothetical protein	0.0088	0.0927	0.0698
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0263	0.0244
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0171	0.1984	0.1969
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0245	0.0227
Echinococcus multilocularis	para nitrobenzyl esterase	0.0045	0.0372	0.0354
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.0434	1
Echinococcus granulosus	BC026374 protein S09 family	0.0045	0.0372	0.0354
Brugia malayi	Carboxylesterase family protein	0.0045	0.0372	0.1163
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0045	0.0372	0.0354
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.0434	1
Echinococcus multilocularis	acetylcholinesterase	0.0266	0.32	0.3187
Brugia malayi	MAP kinase sur-1	0.005	0.0434	0.1356
Onchocerca volvulus		0.0045	0.0372	0.1488
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0045	0.0372	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0372	0.1111
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0261	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0367	0.0125
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.0434	1
Onchocerca volvulus		0.0045	0.0372	0.1488
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0367	0.0125
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.0434	0.1304
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0106	0.1155	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0372	0.1111
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0263	0.4695
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0045	0.0372	0.013
Echinococcus granulosus	acetylcholinesterase	0.0266	0.32	0.3187
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0164	0.1894	0.592
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0261	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0045	0.0372	0.013
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0263	0.4695
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.0434	1
Brugia malayi	hypothetical protein	0.0024	0.0111	0.0348
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.0434	0.5
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0261	0.076
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0765	0.2346
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0261	0.076
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0263	0.1452
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0263	0.011
Echinococcus granulosus	neuropeptide receptor A26	0.0476	0.589	0.5882
Echinococcus granulosus	neuropeptide s receptor	0.0476	0.589	0.5882
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0372	0.1111
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.2758	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0045	0.0372	0.6444
Schistosoma mansoni	acetylcholinesterase	0.0045	0.0372	0.013
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0164	0.1894	0.5896
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0263	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0367	0.0349
Mycobacterium ulcerans	carboxylesterase, LipT	0.0045	0.0372	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0261	0.4636
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0111	0.5
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0263	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0045	0.0372	0.013
Echinococcus granulosus	para nitrobenzyl esterase	0.0045	0.0372	0.0354
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0245	0.0227
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0261	0.076
Echinococcus multilocularis	cpg binding protein	0.0059	0.0555	0.0537
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0261	0.4636
Loa Loa (eye worm)	carboxylesterase	0.0045	0.0372	0.1111
Onchocerca volvulus		0.0045	0.0372	0.1488
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0367	0.0125
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0045	0.0372	0.013
Echinococcus multilocularis	neuroligin	0.0045	0.0372	0.0354
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0263	0.011
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0263	0.0821
Echinococcus granulosus	lysosomal alpha glucosidase	0.0164	0.1894	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0372	0.1111
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0119	0.1317	0.1098
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0434	0.0193
Schistosoma mansoni	amine GPCR	0.0178	0.2075	0.1876
Echinococcus multilocularis	dnaJ subfamily B	0.0796	1	1
Echinococcus multilocularis	acetylcholinesterase	0.0266	0.32	0.3187
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.1894	0.1879
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0263	0.0766
Brugia malayi	beta-lactamase family protein	0.0036	0.0261	0.0815
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0045	0.0372	0.0354
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.0434	0.0416
Brugia malayi	CXXC zinc finger family protein	0.0056	0.0514	0.1605
Brugia malayi	F/Y-rich N-terminus family protein	0.0017	0.0016	0.005
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0266	0.32	0.3029
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0045	0.0372	0.013
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.0434	1
Onchocerca volvulus		0.0045	0.0372	0.1488
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0263	0.011
Leishmania major	hypothetical protein, conserved	0.0036	0.0261	0.4636
Onchocerca volvulus		0.0056	0.0514	0.3375
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0261	0.076
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0261	0.0016
Schistosoma mansoni	alpha-glucosidase	0.0141	0.1602	0.1391
Echinococcus granulosus	carboxylesterase 5A	0.0266	0.32	0.3187
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0261	0.0242
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0367	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0261	0.076
Schistosoma mansoni	hypothetical protein	0.0796	1	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0476	0.589	0.5882
Schistosoma mansoni	gliotactin	0.0045	0.0372	0.013
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0056	0.0514	0.1555
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0261	1
Brugia malayi	Carboxylesterase family protein	0.0266	0.32	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0263	0.011
Echinococcus multilocularis	neuropeptide s receptor	0.0476	0.589	0.5882
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0263	0.011
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.0434	0.3092
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.0434	0.0416
Echinococcus granulosus	neuroligin	0.0045	0.0372	0.0354
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.0434	0.0416
Trichomonas vaginalis	spcc417.12 protein, putative	0.0045	0.0372	0.6444
Echinococcus granulosus	acetylcholinesterase	0.0266	0.32	0.3187
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0372	0.1111
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0261	0.4636
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0263	0.4695
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0045	0.0372	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0266	0.32	1
Brugia malayi	Carboxylesterase family protein	0.0045	0.0372	0.1163
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0367	0.1094
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0263	0.011
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0367	0.1147
Schistosoma mansoni	cpg binding protein	0.0059	0.0555	0.0317
Brugia malayi	Carboxylesterase family protein	0.0266	0.32	1
Schistosoma mansoni	cpg binding protein	0.0059	0.0555	0.0317
Onchocerca volvulus		0.0095	0.101	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0372	0.1111
Echinococcus granulosus	cpg binding protein	0.0059	0.0555	0.0537
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0434	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0261	0.0815
Trypanosoma brucei	glucosidase, putative	0.0036	0.0263	0.4695
Schistosoma mansoni	microtubule-associated protein tau	0.0671	0.8391	0.835
Loa Loa (eye worm)	hypothetical protein	0.0266	0.32	1
Schistosoma mansoni	alpha glucosidase	0.0036	0.0263	0.0018
Brugia malayi	follicle stimulating hormone receptor	0.0237	0.2833	0.8853
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0375	0.4605	0.4595
Loa Loa (eye worm)	carboxylesterase	0.0266	0.32	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0367	0.0349
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.0434	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0372	0.1111
Trypanosoma brucei	protein kinase, putative	0.005	0.0434	1
Toxoplasma gondii	ABC1 family protein	0.0036	0.0261	0.1433
Brugia malayi	beta-lactamase	0.0036	0.0261	0.0815
Schistosoma mansoni	serine-rich repeat protein	0.0088	0.0927	0.0698
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0434	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.0434	1
Brugia malayi	Carboxylesterase family protein	0.0045	0.0372	0.1163
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0261	0.076
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0375	0.4605	0.4595
Brugia malayi	hypothetical protein	0.0035	0.0245	0.0767
Loa Loa (eye worm)	acetylcholinesterase 1	0.0266	0.32	1
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0171	0.1984	0.1969
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0261	0.0016
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0367	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0111	0.029
Onchocerca volvulus		0.0045	0.0372	0.1488
Brugia malayi	Carboxylesterase family protein	0.0045	0.0372	0.1163
Schistosoma mansoni	alpha-glucosidase	0.0141	0.1602	0.1391
Echinococcus granulosus	microtubule associated protein 2	0.0671	0.8391	0.8388
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.0434	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0237	0.2833	0.8846
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0111	0.5
Schistosoma mansoni	cpg binding protein	0.0056	0.0514	0.0275
Brugia malayi	hypothetical protein	0.0045	0.0372	0.1163
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0263	0.011
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0083	0.0855	0.0625
Echinococcus multilocularis	carboxylesterase 5A	0.0266	0.32	0.3187
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0263	0.011
Brugia malayi	Cache domain containing protein	0.0076	0.0765	0.2392
Brugia malayi	beta-lactamase family protein	0.0036	0.0261	0.0815
Loa Loa (eye worm)	carboxylesterase	0.0045	0.0372	0.1111
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0045	0.0372	0.0447
Echinococcus multilocularis	microtubule associated protein 2	0.0671	0.8391	0.8388
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0434	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.1894	0.1879
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0263	0.011
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0263	0.0244

Activities

Activity type	Activity value	Assay description	Source	Reference
Relative activity (functional)	= 200	Antinidatory effect was measured in the rat, relative to that of prostaglandin F2alpha (ED50 = 1.3 (0.9-1.87)mg/kg)	ChEMBL.	7381852

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

PubChem: 11732885

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 258891