TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 395.448 | Formula: C23H25NO5
H donors: 0 H acceptors: 3 LogP: 2.85 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CCC(=O)N1CCCC(C1)C(=O)c1ccc(cc1)Oc1ccccc1
InChi: 1S/C23H25NO5/c1-28-22(26)14-13-21(25)24-15-5-6-18(16-24)23(27)17-9-11-20(12-10-17)29-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-16H2,1H3
InChiKey: SSFJJGVIPPKYFL-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
Echinococcus multilocularis	tar DNA binding protein	0.0324	0.2842	0.283
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0076	0.0413	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0121	0.0856	0.4215
Brugia malayi	AMP-binding enzyme family protein	0.0121	0.0856	0.301
Toxoplasma gondii	ABC1 family protein	0.0037	0.0034	0.0439
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0034	0.0088
Schistosoma mansoni	thyroid hormone receptor	0.0412	0.3712	0.7968
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0034	0.0088
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0146	0.1101	0.1087
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0034	0.0118
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0034	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0413	0.1453
Schistosoma mansoni	hypothetical protein	0.0146	0.1101	0.2364
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0121	0.0856	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0034	0.0088
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0076	0.0413	1
Plasmodium falciparum	plasmepsin IV	0.0076	0.0413	0.7363
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0034	0.0088
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0036	0.0016	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0118
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0076	0.0413	0.0397
Brugia malayi	AMP-binding enzyme family protein	0.0121	0.0856	0.301
Brugia malayi	TAR-binding protein	0.0324	0.2842	1
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.2842	0.6101
Loa Loa (eye worm)	TAR-binding protein	0.0324	0.2842	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0555	0.1953
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0034	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0555	0.1953
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0034	0.0088
Schistosoma mansoni	transcription factor LCR-F1	0.0146	0.1101	0.2364
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0034	0.0118
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0091	0.0555	0.6421
Mycobacterium ulcerans	acyl-CoA synthetase	0.0121	0.0856	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0121	0.0856	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0016	0.0057
Onchocerca volvulus		0.0037	0.0034	0.015
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.2842	0.6101
Entamoeba histolytica	hypothetical protein	0.0146	0.1101	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.118	0.4151
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0036	0.0016	0.0057
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0121	0.0856	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0118
Echinococcus granulosus	tar DNA binding protein	0.0324	0.2842	0.283
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0034	0.0088
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0036	0.0016	0.0057
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0034	1
Schistosoma mansoni	memapsin-2 (A01 family)	0.0509	0.4658	1
Brugia malayi	AMP-binding enzyme family protein	0.0121	0.0856	0.301
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0154	0.0542
Onchocerca volvulus		0.0037	0.0034	0.015
Brugia malayi	AMP-binding enzyme family protein	0.0036	0.0016	0.0057
Plasmodium vivax	plasmepsin IV, putative	0.0076	0.0413	0.7363
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0239	0.2007	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0034	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0118
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0034	0.0439
Schistosoma mansoni	thyroid hormone receptor	0.0412	0.3712	0.7968
Mycobacterium ulcerans	acyl-CoA synthetase	0.0121	0.0856	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0034	0.0208
Mycobacterium ulcerans	lipase LipD	0.0037	0.0034	0.0208
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0034	0.0208
Echinococcus multilocularis	tumor protein p63	0.1054	1	1
Trichomonas vaginalis	esterase, putative	0.0037	0.0034	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0856	0.301
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0036	0.0016	0.0057
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0034	0.0088
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.2842	0.6101
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0076	0.0413	0.0397
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0856	0.301
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.2842	0.6101
Loa Loa (eye worm)	RNA binding protein	0.0324	0.2842	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0034	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0555	0.1953
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0076	0.0413	0.0887
Schistosoma mansoni	cathepsin D (A01 family)	0.0185	0.1486	0.3189
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0034	0.0208
Plasmodium falciparum	acyl-CoA synthetase	0.0091	0.0555	1
Onchocerca volvulus		0.0121	0.0856	0.7213
Brugia malayi	beta-lactamase	0.0037	0.0034	0.0118
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0034	0.0439
Toxoplasma gondii	aspartyl protease ASP1	0.0076	0.0413	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0121	0.0856	1
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0034	0.0323
Entamoeba histolytica	acyl-coA synthetase, putative	0.0121	0.0856	0.7734
Entamoeba histolytica	hypothetical protein	0.0146	0.1101	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0034	0.0072
Leishmania major	hypothetical protein, conserved	0.0037	0.0034	0.0208
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0091	0.0555	0.2706
Plasmodium vivax	aspartyl proteinase, putative	0.0076	0.0413	0.7363
Brugia malayi	AMP-binding enzyme family protein	0.0036	0.0016	0.0057
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0154	0.0542
Brugia malayi	RNA binding protein	0.0324	0.2842	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0016	0.0057
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0034	0.0088
Leishmania major	4-coumarate:coa ligase-like protein	0.0121	0.0856	1
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0034	0.0208
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0086	0.0507	0.2463
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0121	0.0856	0.7734
Schistosoma mansoni	cathepsin D (A01 family)	0.0185	0.1486	0.3189
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0118
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0086	0.0507	0.2463
Entamoeba histolytica	hypothetical protein	0.0146	0.1101	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0086	0.0507	0.2463
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0086	0.0507	0.2463
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0412	0.3712	0.3701
Brugia malayi	AMP-binding enzyme family protein	0.0036	0.0016	0.0057
Schistosoma mansoni	hypothetical protein	0.0382	0.3411	0.7323
Leishmania major	4-coumarate:coa ligase-like protein	0.0121	0.0856	1
Mycobacterium ulcerans	hypothetical protein	0.0121	0.0856	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0091	0.0555	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0146	0.1101	0.1087
Brugia malayi	RNA recognition motif domain containing protein	0.0324	0.2842	1
Brugia malayi	AMP-binding enzyme family protein	0.0036	0.0016	0.0057
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0034	0.0439
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0034	0.0208
Leishmania major	4-coumarate:coa ligase-like protein	0.0121	0.0856	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0555	0.1953
Loa Loa (eye worm)	oxidoreductase	0.0036	0.0016	0.0057
Entamoeba histolytica	hypothetical protein	0.0146	0.1101	1
Schistosoma mansoni	acetyl-CoA synthetase	0.0036	0.0016	0.0035
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0034	0.0017
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0324	0.2842	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0034	0.0118
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.2842	0.6101
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0121	0.0856	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0076	0.0413	0.1453
Plasmodium falciparum	plasmepsin I	0.0076	0.0413	0.7363
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0034	1
Onchocerca volvulus		0.0154	0.118	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0555	0.1953
Onchocerca volvulus		0.0037	0.0034	0.015
Plasmodium vivax	acyl-CoA synthetase, putative	0.0091	0.0555	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0118
Schistosoma mansoni	cellular tumor antigen P53	0.0154	0.118	0.2533
Brugia malayi	hypothetical protein	0.0146	0.1101	0.3875
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0121	0.0856	0.4215
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0382	0.3411	0.34
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0034	0.0439
Plasmodium falciparum	plasmepsin II	0.0076	0.0413	0.7363
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0121	0.0856	1
Plasmodium falciparum	plasmepsin VI	0.0076	0.0413	0.7363
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0382	0.3411	0.34
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0034	0.0208
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0121	0.0856	0.7734
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0034	0.0118
Mycobacterium ulcerans	acyl-CoA synthetase	0.0121	0.0856	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0154	0.0542
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0034	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0856	0.301
Loa Loa (eye worm)	hypothetical protein	0.005	0.0154	0.0542
Brugia malayi	beta-lactamase family protein	0.0037	0.0034	0.0118
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0034	0.0088
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0034	0.0017

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 760649