TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 457.495 | Formula: C24H28FN3O5
H donors: 3 H acceptors: 4 LogP: -0.51 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: NC(Cc1ccccc1F)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)OCC(=O)O
InChi: 1S/C24H28FN3O5/c25-20-5-2-1-4-17(20)12-18(26)13-22(29)28-11-3-6-21(28)24(32)27-14-16-7-9-19(10-8-16)33-15-23(30)31/h1-2,4-5,7-10,18,21H,3,6,11-15,26H2,(H,27,32)(H,30,31)/t18?,21-/m0/s1
InChiKey: RLUFYCVWOAJGNF-ZYZRXSCRSA-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

No synonyms found for this compound

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 fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.015	0.0546
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0567	0.126
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0567	0.0423
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0567	0.0423
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0567	0.0423
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.2755	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.1419	0.3837
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0567	0.0423
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0567	0.0423
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0567	0.0423
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0567	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1106	0.2889
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0567	0.0423
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0567	0.0423
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.2755	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1823	0.5057
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.2755	1
Entamoeba histolytica	hypothetical protein	0.0073	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.3457	0.3357
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2755	0.7876
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1823	0.5057
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2755	0.7876
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.1186	0.1052
Schistosoma mansoni	transcription factor LCR-F1	0.0073	1	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.1823	0.6617
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0567	0.0423
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.1419	0.1288
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.2755	0.2644
Schistosoma mansoni	coup transcription factor	0.001	0.0567	0.0423
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0567	0.0423
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0567	0.126
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2755	0.7876
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1106	0.2889
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0567	0.0423
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0567	0.0423
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.1858	0.6744
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0567	0.0423
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.1858	0.5
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.015	0.0546
Loa Loa (eye worm)	hypothetical protein	0.001	0.0567	0.126
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0567	0.0423
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.3457	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0567	0.0423
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.2755	0.2644
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0567	0.0423
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0567	0.126
Schistosoma mansoni	lamin	0.0029	0.3457	0.3357
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0567	0.126
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.2755	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1823	0.5057
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0567	0.126
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0567	0.0423
Loa Loa (eye worm)	hypothetical protein	0.001	0.0567	0.126
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0567	0.0423
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.2755	0.2644
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0567	0.0423
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.2755	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.015	0.0546
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.1858	0.6556
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.015	0.0546
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0567	0.0423
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.2755	1
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.1823	0.9794
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.1858	0.1734
Echinococcus granulosus	lamin dm0	0.0029	0.3457	0.3357
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1823	0.5057
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0567	0.126
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.1858	1
Onchocerca volvulus		0.001	0.0567	0.126
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.1858	0.5
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0567	0.0423
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0567	0.0423
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.1858	0.5163
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.1672	0.6071
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0567	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1823	0.5057
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.1858	0.1734
Onchocerca volvulus		0.0025	0.2755	0.7876
Entamoeba histolytica	hypothetical protein	0.0073	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.2755	1
Mycobacterium ulcerans	hypothetical protein	0.0025	0.2755	1
Echinococcus multilocularis	musashi	0.0029	0.3457	0.3357
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.1858	0.1734
Loa Loa (eye worm)	hypothetical protein	0.001	0.0567	0.126
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.015	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1186	0.3132
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0567	0.0423
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0567	0.0423
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.2755	1
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0567	0.0423
Loa Loa (eye worm)	hypothetical protein	0.001	0.0567	0.126
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0567	0.126
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.1858	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.2755	0.2644
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0567	0.0423
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0567	0.0423
Toxoplasma gondii	exonuclease III APE	0.0019	0.1858	1
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0567	0.0423
Schistosoma mansoni	ap endonuclease	0.0019	0.1858	0.1734
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.2755	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.1858	0.1734
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.015	0.0546
Echinococcus multilocularis	lamin dm0	0.0029	0.3457	0.3357
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0567	0.0423
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.1858	0.6556
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.015	0.0546
Schistosoma mansoni	lamin	0.0029	0.3457	0.3357
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.1823	0.6421
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0567	0.0423
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.2755	0.2644
Loa Loa (eye worm)	hypothetical protein	0.001	0.0567	0.126
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0567	0.0423
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.015	0.0546
Loa Loa (eye worm)	hypothetical protein	0.001	0.0567	0.126
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	1	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.1823	0.9794
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.1858	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0567	0.126
Echinococcus granulosus	intermediate filament protein	0.0029	0.3457	0.3357
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0567	0.0423
Brugia malayi	intermediate filament protein	0.0029	0.3457	0.3357
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0567	0.126
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0567	0.0423
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0567	0.0423
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.3457	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.1672	0.6071
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0567	0.0423
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.1823	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.1672	0.6071
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.2755	1
Onchocerca volvulus		0.0029	0.3457	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.2755	0.2644
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.2755	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.1186	0.1052
Brugia malayi	steroid hormone receptor	0.001	0.0567	0.0423
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0567	0.0423
Brugia malayi	nuclear receptor NHR-88	0.001	0.0567	0.0423
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.015	0.0546
Entamoeba histolytica	hypothetical protein	0.0073	1	1
Onchocerca volvulus		0.0029	0.3457	1
Echinococcus multilocularis	lamin	0.0029	0.3457	0.3357
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0567	0.126
Loa Loa (eye worm)	hypothetical protein	0.0029	0.3457	1
Schistosoma mansoni	intermediate filament proteins	0.0029	0.3457	0.3357
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0567	0.0423
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.2755	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0567	0.0423
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.1858	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0567	0.126
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0567	0.0423
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.1858	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0567	0.126
Schistosoma mansoni	ap endonuclease	0.0019	0.1858	0.1734
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.015	0.0546
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.2755	1
Echinococcus granulosus	lamin	0.0029	0.3457	0.3357
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0567	0.0423
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0567	0.0423
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.1858	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0567	0.0423
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.1858	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.1672	0.6071
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.015	0.0546
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0567	0.0423
Brugia malayi	nuclear hormone receptor	0.001	0.0567	0.0423
Entamoeba histolytica	hypothetical protein	0.0073	1	1
Schistosoma mansoni	hypothetical protein	0.0073	1	1
Brugia malayi	ecdysteroid receptor	0.001	0.0567	0.0423
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.1858	1
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0567	0.126
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.2755	1
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0567	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0029	0.3377	0.9757

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

ChEMBL: CHEMBL1181639

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 1150695