TDR Targets

Basic information

Technical information

TDR Targets ID: 732957
Name: methyl 2-[2-(2-fluorophenoxy)propanoylamino]- 5,6-dihydro-4H-cyclopenta[d]thiophene-3-carbo xylate
MW: 363.403 | Formula: C18H18FNO4S
H donors: 1 H acceptors: 2 LogP: 4.4 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1c(NC(=O)C(Oc2ccccc2F)C)sc2c1CCC2
InChi: 1S/C18H18FNO4S/c1-10(24-13-8-4-3-7-12(13)19)16(21)20-17-15(18(22)23-2)11-6-5-9-14(11)25-17/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,20,21)
InChiKey: IAKGSVJMFHKYBC-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

2-[[2-(2-fluorophenoxy)-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylic acid methyl ester
2-[2-(2-fluorophenoxy)propanoylamino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylic acid methyl ester
AF-399/41704246
CBKinase1_002713
CBKinase1_015113

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
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0296	0.0296
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0595	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1181	0.1928
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0394	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0296	0.0704
Loa Loa (eye worm)	hypothetical protein	0.0017	0.021	0.0344
Loa Loa (eye worm)	hypothetical protein	0.002	0.0296	0.0483
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0394	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0296	0.0704
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0296	0.0296
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0296	0.0296
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.021	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0296	0.0704
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0394	0.0643
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0394	0.5
Brugia malayi	Pre-SET motif family protein	0.0206	0.6124	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0296	0.0483
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0296	0.0704
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0394	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0017	0.021	0.0344
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0296	0.0483
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0394	0.0643
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0296	0.0483
Onchocerca volvulus		0.0048	0.1181	0.1317
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0296	0.0704
Onchocerca volvulus		0.0023	0.0394	0.0146
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0394	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0296	0.0483
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0296	0.0483
Brugia malayi	steroid hormone receptor	0.002	0.0296	0.0483
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0394	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0296	0.0483
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.002	0.0296	0.0483
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0394	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0296	0.0483
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0595	0.1416
Schistosoma mansoni	coup transcription factor	0.002	0.0296	0.0704
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0296	0.0483
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0296	0.0483
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0206	0.6124	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0595	0.0595
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0296	0.0483
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0296	0.0483
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0145	0.4201	0.4201
Schistosoma mansoni	hypothetical protein	0.0125	0.3574	0.8507
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0394	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0296	0.0483
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0296	0.0296
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0394	0.0643
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0595	0.1416
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0394	0.0643
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0394	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0296	0.0483
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0296	0.0704
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0125	0.3574	0.3574
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0296	0.0296
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0296	0.0296
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0394	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0296	0.0483
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0296	0.0296
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.1181	0.2811
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0296	0.0296
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0394	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0595	0.0595
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.021	0.139
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0394	0.0643
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0394	1
Brugia malayi	Pre-SET motif family protein	0.003	0.0595	0.0971
Loa Loa (eye worm)	hypothetical protein	0.002	0.0296	0.0483
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0595	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0296	0.0483
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0296	0.0704
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0296	0.0483
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0296	0.0483
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.003	0.0595	0.0971
Onchocerca volvulus		0.003	0.0595	0.0445
Loa Loa (eye worm)	hypothetical protein	0.002	0.0296	0.0483
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0296	0.0296
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0296	0.0296
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0394	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.021	0.0344
Onchocerca volvulus		0.0235	0.7016	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0296	0.0483
Loa Loa (eye worm)	hypothetical protein	0.002	0.0296	0.0483
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0296	0.0483
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0561	0.0561
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0296	0.0483
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0394	0.0643
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0595	0.1416
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0296	0.0483
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0394	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0145	0.4201	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0296	0.0483
Brugia malayi	nuclear receptor NHR-88	0.002	0.0296	0.0483
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0296	0.0483
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.021	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.7016	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0296	0.0483
Loa Loa (eye worm)	hypothetical protein	0.0017	0.021	0.0344
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0296	0.0704
Schistosoma mansoni	thyroid hormone receptor	0.0145	0.4201	1
Echinococcus multilocularis	tumor protein p63	0.033	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0296	0.0483
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0394	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.021	0.0344
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0394	1
Plasmodium vivax	SET domain protein, putative	0.003	0.0595	1
Brugia malayi	nuclear hormone receptor	0.002	0.0296	0.0483
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0296	0.0296
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0125	0.3574	0.3574
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0595	0.1416
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0296	0.0483
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0394	0.5
Brugia malayi	ecdysteroid receptor	0.002	0.0296	0.0483
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0296	0.0704
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0394	1
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0296	0.0296
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0296	0.0483
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0296	0.0704

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 732957