TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 398.856 | Formula: C19H24ClFN2O4
H donors: 0 H acceptors: 1 LogP: 3.14 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: FCCOCCOc1ccc(cc1)COc1cnn(c(=O)c1Cl)C(C)(C)C
InChi: 1S/C19H24ClFN2O4/c1-19(2,3)23-18(24)17(20)16(12-22-23)27-13-14-4-6-15(7-5-14)26-11-10-25-9-8-21/h4-7,12H,8-11,13H2,1-3H3
InChiKey: KCQXMUCVEIGSQH-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
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0782	0.6091
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0086	0.123	0.1224
Leishmania major	cathepsin L-like protease	0.0067	0.0782	0.589
Schistosoma mansoni	hypothetical protein	0.0088	0.1265	0.5004
Brugia malayi	Cathepsin L-like precursor	0.0067	0.0782	0.3021
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0067	0.0782	0.6091
Echinococcus granulosus	glycoprotein Antigen 5	0.0059	0.0593	0.0586
Entamoeba histolytica	cysteine protease, putative	0.0067	0.0782	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0312	0.1211
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0269	0.1041
Echinococcus multilocularis	neuropeptide receptor A26	0.0465	1	1
Brugia malayi	cathepsin L-like precursor	0.0045	0.0269	0.0961
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0782	0.6337
Schistosoma mansoni	furin-1 (S08 family)	0.0062	0.0662	0.2603
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0	0.5
Echinococcus granulosus	cathepsin L	0.0035	0.003	0.0022
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0142	0.2521	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0067	0.0782	0.3083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Loa Loa (eye worm)	endoprotease bli-4	0.0142	0.2521	1
Onchocerca volvulus	Cathepsin L homolog	0.0067	0.0782	0.5152
Toxoplasma gondii	PAN domain-containing protein	0.0293	0.6	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0782	0.6337
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.009	0.049
Brugia malayi	endoprotease bli-4 precursor	0.0142	0.2521	1
Entamoeba histolytica	cysteine proteinase, putative	0.0045	0.0269	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0067	0.0782	0.6337
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0829	0.321
Leishmania major	hypothetical protein, conserved	0.0088	0.1265	1
Echinococcus multilocularis	Mastin	0.0059	0.0593	0.0586
Entamoeba histolytica	cysteine proteinase, putative	0.0067	0.0782	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0067	0.0782	0.3083
Echinococcus multilocularis	neuroendocrine convertase 2	0.0089	0.1298	0.1292
Plasmodium vivax	vivapain-2	0.0067	0.0782	0.6091
Echinococcus granulosus	tissue type plasminogen activator	0.0088	0.1265	0.1259
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Echinococcus multilocularis	cysteine protease	0.0067	0.0782	0.0776
Leishmania major	cathepsin L-like protease	0.0067	0.0782	0.589
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0088	0.1265	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0593	0.233
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.009	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0521	0.2043
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Brugia malayi	Kringle domain containing protein	0.0088	0.1265	0.4959
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Loa Loa (eye worm)	ctsf protein	0.0067	0.0782	0.3083
Loa Loa (eye worm)	fibroinase	0.0067	0.0782	0.3083
Toxoplasma gondii	kringle domain-containing protein	0.0088	0.1265	0.1988
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0312	0.0305
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0782	0.6091
Echinococcus multilocularis	cysteine protease	0.0067	0.0782	0.0776
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.003	0.0183
Echinococcus granulosus	enteropeptidase	0.0059	0.0593	0.0586
Schistosoma mansoni	inositol monophosphatase	0.0037	0.009	0.033
Onchocerca volvulus		0.0067	0.0782	0.5152
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1265	0.5004
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0312	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0269	0.1041
Brugia malayi	Inositol-1	0.0037	0.009	0.0243
Echinococcus multilocularis	cathepsin L cysteine protease	0.0067	0.0782	0.0776
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.009	0.049
Brugia malayi	Papain family cysteine protease containing protein	0.0067	0.0782	0.3021
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.157	0.6181
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0269	0.1041
Echinococcus granulosus	cathepsin L cysteine protease	0.0035	0.003	0.0022
Leishmania major	cathepsin L-like protease	0.0067	0.0782	0.589
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0067	0.0782	0.0776
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.003	0.0183
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0035	0.003	0.0089
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0312	0.1132
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0829	0.327
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0782	0.6337
Echinococcus granulosus	Mastin	0.0059	0.0593	0.0586
Schistosoma mansoni	hypothetical protein	0.0069	0.0829	0.327
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0782	0.6091
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0312	0.1211
Echinococcus granulosus	neuroendocrine convertase 2	0.0089	0.1298	0.1292
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0045	0.0269	0.0961
Loa Loa (eye worm)	TK/ROR protein kinase	0.0088	0.1265	0.5004
Giardia lamblia	High cysteine membrane protein Group 2	0.0053	0.0453	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.009	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Onchocerca volvulus	Cathepsin L homolog	0.0067	0.0782	0.5152
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0067	0.0782	0.6337
Brugia malayi	neuroendocrine convertase 1 precursor	0.0089	0.1298	0.5092
Loa Loa (eye worm)	hypothetical protein	0.0142	0.2521	1
Onchocerca volvulus	Cathepsin F homolog	0.0067	0.0782	0.5152
Brugia malayi	Cathepsin L-like precursor	0.0067	0.0782	0.3021
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0312	0.0305
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0067	0.0782	0.0776
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.009	0.0804
Brugia malayi	Cathepsin L-like precursor	0.0067	0.0782	0.3021
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0782	0.6337
Onchocerca volvulus		0.0067	0.0782	0.5152
Onchocerca volvulus		0.0067	0.0782	0.5152
Echinococcus granulosus	furin	0.0142	0.2521	0.2516
Loa Loa (eye worm)	hypothetical protein	0.0101	0.157	0.6215
Schistosoma mansoni	inositol monophosphatase	0.0037	0.009	0.033
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0312	0.0305
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.009	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0782	0.6337
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.009	0.0678
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0067	0.0782	0.0776
Echinococcus granulosus	cathepsin l1	0.0067	0.0782	0.0776
Loa Loa (eye worm)	cysteine protease	0.0067	0.0782	0.3083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Echinococcus multilocularis	cathepsin L cysteine protease	0.0067	0.0782	0.0776
Schistosoma mansoni	cathepsin F (C01 family)	0.0067	0.0782	0.3083
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0086	0.123	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0067	0.0782	0.0776
Echinococcus multilocularis		0.0115	0.1885	0.1879
Plasmodium falciparum	cysteine repeat modular protein 1	0.0088	0.1265	1
Leishmania major	cathepsin L-like protease	0.0067	0.0782	0.589
Echinococcus multilocularis	neuropeptide s receptor	0.0465	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0067	0.0782	0.6091
Echinococcus multilocularis	cathepsin L	0.0035	0.003	0.0022
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0067	0.0782	0.3083
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0086	0.123	0.1224
Onchocerca volvulus		0.0067	0.0782	0.5152
Leishmania major	cysteine peptidase A (CPA)	0.0067	0.0782	0.589
Leishmania major	cathepsin L-like protease	0.0067	0.0782	0.589
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0067	0.0782	0.6091
Leishmania major	cathepsin L-like protease	0.0067	0.0782	0.589
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0035	0.003	0.0089
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	0.2141
Brugia malayi	Cathepsin L-like precursor	0.0067	0.0782	0.3021
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0782	0.6337
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.009	0.0678
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	0.2141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Onchocerca volvulus		0.0067	0.0782	0.5152
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0	0.5
Echinococcus granulosus	cysteine protease	0.0035	0.003	0.0022
Brugia malayi	proprotein convertase 2	0.0089	0.1298	0.5092
Brugia malayi	Cathepsin L-like precursor	0.0067	0.0782	0.3021
Schistosoma mansoni	cathepsin F (C01 family)	0.0045	0.0269	0.1041
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0035	0.003	0.0089
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0782	0.6337
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.0782	0.6091
Echinococcus multilocularis	glycoprotein Antigen 5	0.0059	0.0593	0.0586
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.157	0.6181
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0086	0.123	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.157	0.6215
Echinococcus multilocularis	enteropeptidase	0.0059	0.0593	0.0586
Onchocerca volvulus		0.0067	0.0782	0.5152
Echinococcus granulosus	neuropeptide receptor A26	0.0465	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0088	0.1265	1
Echinococcus multilocularis	tissue type plasminogen activator	0.0088	0.1265	0.1259
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0269	0.0961
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0045	0.0269	0.1938
Toxoplasma gondii	cathepsin CPL	0.0067	0.0782	0.1171
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.009	0.0678
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Toxoplasma gondii	PAN domain-containing protein	0.0293	0.6	1
Onchocerca volvulus		0.0067	0.0782	0.5152
Plasmodium vivax	vivapain-2	0.0067	0.0782	0.6091
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0782	0.6091
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0269	0.0961
Leishmania major	cathepsin L-like protease	0.0067	0.0782	0.589
Loa Loa (eye worm)	inositol-1	0.0037	0.009	0.033
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.009	0.0083
Echinococcus granulosus	cathepsin l1	0.0045	0.0269	0.0262
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Brugia malayi	Protein kinase domain containing protein	0.0088	0.1265	0.4959
Leishmania major	cathepsin L-like protease	0.0067	0.0782	0.589
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.009	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0782	0.3083
Brugia malayi	Cathepsin L-like precursor	0.0067	0.0782	0.3021
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0782	0.6337
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0312	0.1211
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0782	0.6337
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0312	0.1211
Entamoeba histolytica	cysteine proteinase, putative	0.0067	0.0782	1
Brugia malayi	celfurPC protein	0.0115	0.1885	0.7445
Onchocerca volvulus		0.0088	0.1265	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0782	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0782	0.6337

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: CHEMBL1908898

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 1598949