TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 382.428 | Formula: C22H23FN2O3
H donors: 1 H acceptors: 3 LogP: 3.48 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCN1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccccc1)O)C
InChi: 1S/C22H23FN2O3/c1-24(2)13-8-14-25-19(16-11-6-7-12-17(16)23)18(21(27)22(25)28)20(26)15-9-4-3-5-10-15/h3-7,9-12,19,27H,8,13-14H2,1-2H3
InChiKey: FAEFBKHSLHEKGV-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

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
Entamoeba histolytica	hypothetical protein	0.0193	0.2475	1
Leishmania major	hypothetical protein, conserved	0.0038	0.032	1
Onchocerca volvulus		0.0253	0.3301	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.032	0.0628
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0125	0.0245
Echinococcus granulosus	Smad4	0.0026	0.0161	0.016
Echinococcus multilocularis	lamin	0.003	0.0218	0.0216
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.032	0.0161
Brugia malayi	hypothetical protein	0.0193	0.2475	0.4849
Loa Loa (eye worm)	MH2 domain-containing protein	0.0026	0.0161	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0038	0.032	0.0628
Echinococcus granulosus	GPCR family 2	0.0049	0.0484	0.0482
Echinococcus multilocularis	musashi	0.003	0.0218	0.0216
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0241	0.024
Onchocerca volvulus		0.003	0.0218	0.0292
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0125	0.0308
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0043	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0151	0.1893	0.176
Schistosoma mansoni	microtubule-associated protein tau	0.0736	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.2501	0.2378
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.032	1
Schistosoma mansoni	hypothetical protein	0.0193	0.2475	0.2351
Brugia malayi	MH1 domain containing protein	0.0026	0.0161	0.0316
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0156	0.196	0.3841
Brugia malayi	beta-lactamase family protein	0.0038	0.032	0.0628
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0241	0.0081
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0241	0.0081
Mycobacterium tuberculosis	Conserved protein	0.0038	0.032	0.094
Onchocerca volvulus		0.003	0.0218	0.0292
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0125	0.2957
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.032	0.094
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0043	0.0084
Echinococcus multilocularis	smad	0.0026	0.0161	0.016
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.014	0.1737	0.1736
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.032	0.094
Entamoeba histolytica	hypothetical protein	0.0193	0.2475	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0024	0.0047
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0156	0.196	0.3841
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0225	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0125	0.0245
Schistosoma mansoni	intermediate filament proteins	0.003	0.0218	0.0057
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0484	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0038	0.032	0.0628
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.032	0.0628
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.032	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.032	0.094
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0218	0.0426
Brugia malayi	MH1 domain containing protein	0.0026	0.0161	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0241	0.0473
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0049	0.0484	0.0482
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0241	0.0081
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.032	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0038	0.032	0.0628
Brugia malayi	RNA recognition motif domain containing protein	0.0195	0.2501	0.4901
Loa Loa (eye worm)	hypothetical protein	0.0038	0.032	0.0628
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0026	0.0161	0.016
Loa Loa (eye worm)	hypothetical protein	0.0156	0.196	0.3841
Plasmodium vivax	SET domain protein, putative	0.0032	0.0241	0.7159
Brugia malayi	MH2 domain containing protein	0.0026	0.0161	0.0316
Brugia malayi	Pre-SET motif family protein	0.0032	0.0241	0.0473
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.2501	0.2378
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0002	0.0003
Echinococcus granulosus	smad	0.0026	0.0161	0.016
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0484	0.0948
Loa Loa (eye worm)	hypothetical protein	0.003	0.021	0.0411
Schistosoma mansoni	hypothetical protein	0.0049	0.0484	0.0327
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.032	1
Toxoplasma gondii	ABC1 family protein	0.0038	0.032	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.014	0.1737	0.1736
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0125	0.0245
Schistosoma mansoni	lamin	0.003	0.0218	0.0057
Schistosoma mansoni	hypothetical protein	0.0107	0.1277	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0038	0.032	0.0628
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0125	0.2957
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0125	0.2957
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0222	0.2876	0.5636
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1277	0.2502
Mycobacterium ulcerans	beta-lactamase	0.0038	0.032	1
Mycobacterium ulcerans	lipase LipD	0.0038	0.032	1
Onchocerca volvulus		0.0038	0.032	0.0615
Mycobacterium tuberculosis	Conserved protein	0.0038	0.032	0.094
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0125	0.0245
Loa Loa (eye worm)	Smad1	0.0026	0.0161	0.0316
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0218	0.0426
Schistosoma mansoni	transcription factor LCR-F1	0.0193	0.2475	0.2351
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0125	0.2957
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0241	0.024
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.032	1
Brugia malayi	Pre-SET motif family protein	0.0222	0.2876	0.5636
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0043	0.0084
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0241	0.024
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0484	0.0948
Brugia malayi	TAR-binding protein	0.0195	0.2501	0.4901
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0024	0.0047
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.032	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0043	0.0084
Schistosoma mansoni	hypothetical protein	0.0049	0.0484	0.0327
Brugia malayi	latrophilin 2 splice variant baaae	0.0107	0.1277	0.2502
Echinococcus granulosus	tar DNA binding protein	0.0195	0.2501	0.25
Schistosoma mansoni	thyroid hormone receptor	0.0151	0.1893	0.176
Loa Loa (eye worm)	transcription factor SMAD2	0.0383	0.5103	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.032	0.0628
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0193	0.2475	0.2473
Entamoeba histolytica	hypothetical protein	0.0193	0.2475	1
Brugia malayi	MH2 domain containing protein	0.0383	0.5103	1
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.032	0.094
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0125	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0125	0.0245
Echinococcus granulosus	lamin	0.003	0.0218	0.0216
Schistosoma mansoni	hypothetical protein	0.0049	0.0484	0.0327
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0125	0.0245
Echinococcus granulosus	intermediate filament protein	0.003	0.0218	0.0216
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.032	0.094
Onchocerca volvulus		0.0032	0.0241	0.0367
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.2501	0.2378
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0156	0.196	0.3841
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0043	0.0084
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0049	0.0484	0.0482
Echinococcus multilocularis	Smad4	0.0026	0.0161	0.016
Brugia malayi	beta-lactamase	0.0038	0.032	0.0628
Onchocerca volvulus		0.0038	0.032	0.0615
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.2501	0.2378
Loa Loa (eye worm)	MH1 domain-containing protein	0.0026	0.0161	0.0316
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0125	0.2957
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0151	0.1893	0.1892
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.032	0.094
Trichomonas vaginalis	set domain proteins, putative	0.0253	0.3301	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0484	0.0948
Echinococcus multilocularis	lamin dm0	0.003	0.0218	0.0216
Echinococcus granulosus	mothers against decapentaplegic 5	0.0026	0.0161	0.016
Echinococcus multilocularis	microtubule associated protein 2	0.0736	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0043	0.0084
Onchocerca volvulus		0.0038	0.032	0.0615
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.032	0.0161
Brugia malayi	MH2 domain containing protein	0.0026	0.0161	0.0316
Echinococcus multilocularis	GPCR, family 2	0.0049	0.0484	0.0482
Brugia malayi	Smad1	0.0026	0.0161	0.0316
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.032	0.5
Mycobacterium ulcerans	hypothetical protein	0.0038	0.032	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0241	0.0081
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0026	0.0161	0.016
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.032	0.094
Brugia malayi	RNA binding protein	0.0195	0.2501	0.4901
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0193	0.2475	0.2473
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.032	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0026	0.0161	0.016
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0125	0.2957
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0125	0.2957
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0195	0.2501	0.4901
Mycobacterium leprae	Probable lipase LipE	0.0038	0.032	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0125	0.2957
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.024	0.3123	1
Loa Loa (eye worm)	beta-lactamase	0.0038	0.032	0.0628
Schistosoma mansoni	lamin	0.003	0.0218	0.0057
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0049	0.0484	0.0482
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.032	0.094
Brugia malayi	intermediate filament protein	0.003	0.0218	0.0426
Schistosoma mansoni	tar DNA-binding protein	0.0195	0.2501	0.2378
Loa Loa (eye worm)	TAR-binding protein	0.0195	0.2501	0.4901
Loa Loa (eye worm)	hypothetical protein	0.003	0.0218	0.0426
Echinococcus multilocularis	tar DNA binding protein	0.0195	0.2501	0.25
Loa Loa (eye worm)	MH2 domain-containing protein	0.0383	0.5103	1
Entamoeba histolytica	hypothetical protein	0.0193	0.2475	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0043	0.0043
Echinococcus granulosus	lamin dm0	0.003	0.0218	0.0216
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0218	0.0426
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0043	0.5
Brugia malayi	beta-lactamase family protein	0.0038	0.032	0.0628
Schistosoma mansoni	hypothetical protein	0.0049	0.0484	0.0327
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.032	0.5
Schistosoma mansoni	hypothetical protein	0.014	0.1737	0.1602
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0049	0.0484	0.0482
Loa Loa (eye worm)	RNA binding protein	0.0195	0.2501	0.4901

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 769809