TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.485 | Formula: C22H30N2O3
H donors: 0 H acceptors: 2 LogP: 4.26 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1CCCN(C1)Cc1coc(n1)c1ccc(cc1)C(C)(C)C
InChi: 1S/C22H30N2O3/c1-5-26-21(25)17-7-6-12-24(13-17)14-19-15-27-20(23-19)16-8-10-18(11-9-16)22(2,3)4/h8-11,15,17H,5-7,12-14H2,1-4H3
InChiKey: LVVOTGJVUIYIGP-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	nardilysin	0.0024	0.0353	0.0362
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.1148	0.1148
Loa Loa (eye worm)	RNA binding protein	0.0062	0.167	0.167
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0737	0.0737
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0511	0.0873
Echinococcus multilocularis	protein patched	0.0042	0.0987	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1148	0.1148
Schistosoma mansoni	hypothetical protein	0.0031	0.0616	0.0685
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0671	0.1146
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0987	0.1097
Trypanosoma cruzi	peptidase, putative	0.0024	0.0353	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0742	0.0825
Brugia malayi	insulin-degrading enzyme	0.0024	0.0353	0.0353
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.167	0.171
Schistosoma mansoni	hypothetical protein	0.0068	0.1886	0.2095
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.1148	0.1276
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0987	0.1011
Schistosoma mansoni	hypothetical protein	0.0031	0.0616	0.0685
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.2936	0.3006
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.1148	0.1961
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.1148	0.1276
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0616	0.0616
Entamoeba histolytica	hypothetical protein	0.0035	0.0742	0.2529
Brugia malayi	jmjC domain containing protein	0.0093	0.276	0.276
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.1148	0.1961
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.007	0.1978	0.1978
Echinococcus multilocularis	muscleblind protein	0.0294	0.9766	1
Brugia malayi	glutaminase DH11.1	0.0272	0.9	0.9
Brugia malayi	TAR-binding protein	0.0062	0.167	0.167
Echinococcus multilocularis	expressed conserved protein	0.0092	0.2729	0.2794
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.1148	0.1148
Schistosoma mansoni	jumonji domain containing protein	0.0074	0.2095	0.2327
Loa Loa (eye worm)	hypothetical protein	0.006	0.1622	0.1622
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.1148	0.1276
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1148	0.1148
Brugia malayi	CHE-14 protein	0.0042	0.0987	0.0987
Toxoplasma gondii	insulysin, putative	0.0023	0.0312	0.0534
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0616	0.0631
Echinococcus granulosus	insulin degrading enzyme	0.0024	0.0353	0.0362
Echinococcus granulosus	GA binding protein alpha chain	0.007	0.1978	0.2025
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.2979	0.2979
Entamoeba histolytica	hypothetical protein	0.0035	0.0742	0.2529
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0616	0.0631
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0616	0.0616
Echinococcus granulosus	muscleblind protein	0.0294	0.9766	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.1148	0.1961
Echinococcus multilocularis	GA binding protein alpha chain	0.007	0.1978	0.2025
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0737	0.0737
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.1886	0.1886
Schistosoma mansoni	hypothetical protein	0.0031	0.0616	0.0685
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0182	0.5855	1
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0182	0.5855	1
Schistosoma mansoni	hypothetical protein	0.0028	0.0511	0.0568
Trichomonas vaginalis	glutaminase, putative	0.0272	0.9	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.1148	0.1276
Echinococcus multilocularis	nardilysin	0.0024	0.0353	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1217	0.1217
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.167	0.1856
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0098	0.2936	1
Onchocerca volvulus	Alhambra homolog	0.0028	0.0511	0.0511
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.0719	0.0736
Schistosoma mansoni	glutaminase	0.0272	0.9	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0935	0.1038
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0742	0.076
Mycobacterium ulcerans	hypothetical protein	0.0047	0.1148	0.1276
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0182	0.5855	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0511	0.0873
Schistosoma mansoni	hypothetical protein	0.0031	0.0616	0.0685
Brugia malayi	Ets-domain containing protein	0.007	0.1978	0.1978
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.1148	1
Loa Loa (eye worm)	hypothetical protein	0.0301	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.167	0.1856
Loa Loa (eye worm)	hypothetical protein	0.0294	0.9766	0.9766
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0182	0.5855	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.167	0.1856
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.1148	0.3912
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.1148	1
Loa Loa (eye worm)	PHD-finger family protein	0.0028	0.0511	0.0511
Loa Loa (eye worm)	fli-1 protein	0.0214	0.6977	0.6977
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0671	0.1146
Brugia malayi	Fli-1 protein	0.0214	0.6977	0.6977
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0987	0.1011
Toxoplasma gondii	sporozoite developmental protein	0.0024	0.0353	0.0603
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0616	0.0631
Schistosoma mansoni	insulysin unit 3 (M16 family)	0.0024	0.0353	0.0392
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.167	0.1856
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0616	0.0631
Schistosoma mansoni	gabp alpha	0.007	0.1978	0.2198
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0182	0.5855	1
Schistosoma mansoni	insulysin unit 3 (M16 family)	0.0024	0.0353	0.0392
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0093	0.276	0.2826
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.2989	0.3321
Brugia malayi	jmjC domain containing protein	0.0034	0.0719	0.0719
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0028	0.0511	0.0523
Schistosoma mansoni	hypothetical protein	0.0041	0.0935	0.1038
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0035	0.0737	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2936	0.2936
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0182	0.5855	1
Onchocerca volvulus		0.0301	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0737	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0737	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0737	0.0737
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0671	0.1146
Brugia malayi	hypothetical protein	0.0035	0.0742	0.0742
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0719	0.0799
Echinococcus multilocularis	insulin degrading enzyme	0.0024	0.0353	0.0362
Schistosoma mansoni	hypothetical protein	0.0041	0.0935	0.1038
Brugia malayi	Ets-domain containing protein	0.007	0.1978	0.1978
Trypanosoma cruzi	peptidase, putative	0.0024	0.0353	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.2936	0.3006
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0737	0.1259
Echinococcus multilocularis	Niemann Pick C1 protein	0.014	0.4401	0.4506
Schistosoma mansoni	nardilysin (M16 family)	0.0024	0.0353	0.0392
Loa Loa (eye worm)	insulin-degrading enzyme	0.0024	0.0353	0.0353
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0987	0.0987
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.1148	0.1961
Echinococcus multilocularis	protein dispatched 1	0.0048	0.1194	0.1223
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.1148	0.1276
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.167	0.1856
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.167	0.167
Echinococcus granulosus	lysine specific demethylase 5A	0.0034	0.0719	0.0736
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0719	0.0719
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0719	0.0799
Echinococcus granulosus	GPCR family 2	0.0031	0.0616	0.0631
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0742	0.076
Giardia lamblia	PHD finger protein 15	0.0028	0.0511	0.5
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.0898	0.092
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0616	0.0631
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0737	0.1259
Entamoeba histolytica	hypothetical protein	0.0035	0.0742	0.2529
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0737	0.0698
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.2979	0.2979
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.1148	0.3912
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.167	0.167
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1148	0.1148
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.167	0.167
Entamoeba histolytica	hypothetical protein	0.0035	0.0742	0.2529
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.1148	0.3912
Schistosoma mansoni	hypothetical protein	0.0041	0.0935	0.1038
Brugia malayi	Bromodomain containing protein	0.0028	0.0511	0.0511
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0742	0.0825
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.2979	0.2979
Echinococcus granulosus	expressed conserved protein	0.0092	0.2729	0.2794
Loa Loa (eye worm)	glutaminase	0.0272	0.9	0.9
Trichomonas vaginalis	hypothetical protein	0.0182	0.5855	0.6506
Brugia malayi	Muscleblind-like protein	0.0294	0.9766	0.9766
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.2936	0.2936
Echinococcus granulosus	nardilysin	0.0024	0.0353	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0294	0.9766	0.9766
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0737	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1317	0.1317
Echinococcus granulosus	peregrin	0.0028	0.0511	0.0523
Leishmania major	phosphoglycan beta 1,3 galactosyltransferase 5	0.0024	0.0353	0.3076
Echinococcus multilocularis	peregrin	0.0028	0.0511	0.0523
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.1564	0.1564
Brugia malayi	RNA binding protein	0.0062	0.167	0.167
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0987	0.1011
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.1148	0.1148
Trypanosoma brucei	peptidase, putative	0.0024	0.0353	1
Plasmodium falciparum	phd finger protein, putative	0.0028	0.0511	0.0873
Schistosoma mansoni	ets-related	0.0214	0.6977	0.7752
Toxoplasma gondii	rhoptry metalloprotease toxolysin TLN1	0.0024	0.0353	0.0603
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0028	0.0511	0.0568
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0093	0.276	0.2826
Echinococcus granulosus	3'partial\|nardilysin	0.0024	0.0353	0.0362
Echinococcus granulosus	tar DNA binding protein	0.0062	0.167	0.171
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1886	0.1886
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0671	0.1146
Echinococcus multilocularis	muscleblind protein 1	0.0294	0.9766	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.1148	0.1276
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.1148	1
Schistosoma mansoni	nardilysin (M16 family)	0.0024	0.0353	0.0392
Mycobacterium ulcerans	glutaminase	0.0272	0.9	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0616	0.0616
Loa Loa (eye worm)	glutaminase 2	0.0272	0.9	0.9
Echinococcus granulosus	Niemann Pick C1 protein	0.014	0.4401	0.4506
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.1148	0.1276
Brugia malayi	PHD-finger family protein	0.0028	0.0511	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0987	0.0987
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0182	0.5855	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0511	0.0511
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0182	0.5855	0.6506
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2979	0.2979
Toxoplasma gondii	peptidase M16 inactive domain-containing protein	0.0014	0.0025	0.0043
Echinococcus multilocularis	nardilysin	0.0014	0.0025	0.0026
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0511	0.0873
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0616	0.0616
Echinococcus granulosus	PHD finger protein rhinoceros	0.0028	0.0511	0.0523
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.0898	0.092
Onchocerca volvulus		0.0047	0.1148	0.1148
Schistosoma mansoni	patched 1	0.0042	0.0987	0.1097

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 3 %	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1	ChEMBL.	No reference

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: CHEMBL1860930

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 1049062