TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 371.47 | Formula: C22H29NO4
H donors: 1 H acceptors: 2 LogP: 4.24 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1O)CN(CC(=O)OC(C)(C)C)CCc1ccccc1
InChi: 1S/C22H29NO4/c1-22(2,3)27-21(25)16-23(13-12-17-8-6-5-7-9-17)15-18-10-11-20(26-4)19(24)14-18/h5-11,14,24H,12-13,15-16H2,1-4H3
InChiKey: QIASRVFIYLFUOO-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
Brugia malayi	cathepsin L-like precursor	0.0022	0.0164	0.0233
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0309	0.0657
Leishmania major	cathepsin L-like protease	0.0126	0.3427	1
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0164	0.0233
Schistosoma mansoni	lamin	0.0027	0.0309	0.0657
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1906	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0171	0.0364
Brugia malayi	MH2 domain containing protein	0.0236	0.6876	1
Echinococcus granulosus	lamin dm0	0.0027	0.0309	0.0309
Brugia malayi	Cathepsin L-like precursor	0.0033	0.0507	0.0733
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.1066	0.1066
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0309	0.0449
Schistosoma mansoni	lamin	0.0027	0.0309	0.0657
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0164	0.0238
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.1066	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1425	0.303
Echinococcus multilocularis	cysteine protease	0.0033	0.0507	0.0507
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0033	0.0507	1
Brugia malayi	Bromodomain containing protein	0.0038	0.0662	0.0958
Echinococcus multilocularis	cysteine protease	0.0033	0.0507	0.0507
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0033	0.0507	0.0507
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1906	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0126	0.3427	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1906	1
Echinococcus multilocularis	musashi	0.0027	0.0309	0.0309
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0017	0.0004	0.0008
Echinococcus multilocularis	geminin	0.0167	0.4701	0.4701
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1906	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0033	0.0507	1
Plasmodium vivax	vivapain-2	0.0033	0.0507	0.2648
Brugia malayi	Cathepsin L-like precursor	0.0033	0.0507	0.0733
Brugia malayi	Papain family cysteine protease containing protein	0.0033	0.0507	0.0733
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0115	0.3083	0.8997
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0588	0.0588
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0588	0.0588
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.1425	0.2068
Echinococcus granulosus	tar DNA binding protein	0.0062	0.1425	0.1425
Brugia malayi	Cathepsin L-like precursor	0.0033	0.0507	0.0733
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0309	0.0449
Onchocerca volvulus		0.0033	0.0507	0.0856
Onchocerca volvulus	Cathepsin F homolog	0.0033	0.0507	0.0856
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Brugia malayi	Probable ClpP-like protease	0.0078	0.1906	0.2768
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0112	0.0162
Schistosoma mansoni	hypothetical protein	0.002	0.0112	0.0237
Onchocerca volvulus		0.0027	0.0309	0.0361
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0033	0.0507	1
Leishmania major	cathepsin L-like protease	0.0126	0.3427	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1022	0.1482
Echinococcus granulosus	zinc finger protein	0.0019	0.0079	0.0079
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0033	0.0507	0.2648
Onchocerca volvulus		0.0027	0.0309	0.0361
Echinococcus granulosus	cathepsin L	0.0017	0.0004	0.0004
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Echinococcus multilocularis	lamin	0.0027	0.0309	0.0309
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.1425	0.1425
Echinococcus granulosus	cathepsin L cysteine protease	0.0017	0.0004	0.0004
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1425	0.303
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0033	0.0507	1
Echinococcus multilocularis	zinc finger protein	0.0019	0.0079	0.0079
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1022	0.1487
Echinococcus granulosus	geminin	0.0167	0.4701	0.4701
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0033	0.0507	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0171	0.0171
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0033	0.0507	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0126	0.3427	1
Onchocerca volvulus		0.0033	0.0507	0.0856
Brugia malayi	Cathepsin L-like precursor	0.0033	0.0507	0.0733
Echinococcus granulosus	cathepsin l1	0.0033	0.0507	0.0507
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0033	0.0507	0.0738
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0164	0.0233
Loa Loa (eye worm)	ctsf protein	0.0033	0.0507	0.0738
Loa Loa (eye worm)	hypothetical protein	0.007	0.1673	0.2433
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0078	0.1906	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0236	0.6876	1
Entamoeba histolytica	cysteine proteinase, putative	0.0033	0.0507	1
Loa Loa (eye worm)	cysteine protease	0.0033	0.0507	0.0738
Echinococcus multilocularis	cathepsin L	0.0017	0.0004	0.0004
Schistosoma mansoni	zinc finger protein	0.0019	0.0079	0.0167
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0164	0.0238
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0078	0.1906	0.1906
Schistosoma mansoni	cathepsin F (C01 family)	0.0033	0.0507	0.1079
Schistosoma mansoni	peptidase Clp (S14 family)	0.0078	0.1906	0.4054
Echinococcus multilocularis	lamin dm0	0.0027	0.0309	0.0309
Loa Loa (eye worm)	fibroinase	0.0033	0.0507	0.0738
Onchocerca volvulus		0.0033	0.0507	0.0856
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Echinococcus granulosus	intermediate filament protein	0.0027	0.0309	0.0309
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0033	0.0507	0.0738
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0019	0.0028
Onchocerca volvulus		0.0033	0.0507	0.0856
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1022	0.1482
Loa Loa (eye worm)	RNA binding protein	0.0062	0.1425	0.2072
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.1329	0.1329
Toxoplasma gondii	cathepsin CPL	0.0033	0.0507	0.1247
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0033	0.0507	0.2648
Plasmodium vivax	vivapain-2	0.0033	0.0507	0.2648
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Echinococcus granulosus	cathepsin l1	0.0022	0.0164	0.0164
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0164	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.101	0.1469
Brugia malayi	PHD-finger family protein	0.0025	0.0245	0.0351
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0078	0.1906	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0033	0.0507	0.0507
Brugia malayi	intermediate filament protein	0.0027	0.0309	0.0444
Schistosoma mansoni	cathepsin F (C01 family)	0.0033	0.0507	0.1079
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0017	0.0004	0.0008
Trypanosoma cruzi	cysteine peptidase, putative	0.0126	0.3427	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0033	0.0507	0.0507
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0531	0.0767
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0033	0.0507	0.0507
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Onchocerca volvulus		0.015	0.4178	1
Onchocerca volvulus		0.0049	0.101	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0164	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1022	0.1487
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1425	0.303
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0078	0.1906	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0309	0.0449
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1906	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0033	0.0507	0.0856
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1425	0.303
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Brugia malayi	Cathepsin L-like precursor	0.0033	0.0507	0.0733
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0164	0.3182
Trypanosoma cruzi	cruzipain precursor, putative	0.0126	0.3427	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0033	0.0507	0.2648
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0164	0.0349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0033	0.0507	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.1066	0.5
Brugia malayi	Bromodomain containing protein	0.0074	0.1806	0.2623
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0664	0.0966
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0033	0.0507	1
Leishmania major	cathepsin L-like protease	0.0126	0.3427	1
Echinococcus granulosus	lamin	0.0027	0.0309	0.0309
Schistosoma mansoni	hypothetical protein	0.0167	0.4701	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.3427	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.1425	0.2072
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0309	0.0444
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Schistosoma mansoni	bromodomain containing protein	0.0063	0.1441	0.3065
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0507	0.0738
Loa Loa (eye worm)	transcription factor SMAD2	0.0236	0.6876	1
Brugia malayi	RNA binding protein	0.0062	0.1425	0.2068
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0078	0.1906	1
Onchocerca volvulus		0.0033	0.0507	0.0856
Loa Loa (eye worm)	hypothetical protein	0.004	0.0738	0.1074
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1906	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0033	0.0507	0.0507
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0294	0.0427
Brugia malayi	TAR-binding protein	0.0062	0.1425	0.2068
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1425	0.303
Echinococcus granulosus	cysteine protease	0.0017	0.0004	0.0004
Onchocerca volvulus	Cathepsin L homolog	0.0033	0.0507	0.0856
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0531	0.0772
Trypanosoma cruzi	cysteine peptidase, putative	0.0033	0.0507	0.1472
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0798	0.116
Entamoeba histolytica	cysteine proteinase, putative	0.0033	0.0507	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0033	0.0507	0.0507
Entamoeba histolytica	cysteine protease, putative	0.0033	0.0507	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0022	0.0164	0.0233
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.0308	0.1601
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0033	0.0507	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.1329	0.1329
Onchocerca volvulus		0.0033	0.0507	0.0856
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0308	0.1601
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.1425	0.2072
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0017	0.0004	0.0008
Trypanosoma cruzi	major cysteine proteinase, putative	0.0099	0.258	0.7525
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Brugia malayi	Cathepsin L-like precursor	0.0033	0.0507	0.0733
Brugia malayi	hypothetical protein	0.015	0.4178	0.6074
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0033	0.0507	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0171	0.0171
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0164	0.3182
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.1066	0.4744
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1906	0.2772
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0033	0.0507	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.1066	0.1066
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0078	0.1906	0.1906
Schistosoma mansoni	hypothetical protein	0.0034	0.0531	0.1129
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.101	0.2148
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0033	0.0507	1
Onchocerca volvulus		0.0033	0.0507	0.0856
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1906	0.5
Schistosoma mansoni	hypothetical protein	0.0167	0.4701	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.4178	0.6076

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 33.57 uM	Antileishmanial activity against Leishmania donovani promastigotes after 72 hr by alamar blue assay	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: CHEMBL2261989

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 1838689