TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 410.91 | Formula: C21H28ClFN2O3
H donors: 1 H acceptors: 1 LogP: 2.99 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CCCO1)NCC1CCC2(O1)CCN(CC2)Cc1c(F)cccc1Cl
InChi: 1S/C21H28ClFN2O3/c22-17-3-1-4-18(23)16(17)14-25-10-8-21(9-11-25)7-6-15(28-21)13-24-20(26)19-5-2-12-27-19/h1,3-4,15,19H,2,5-14H2,(H,24,26)
InChiKey: ORXKVISKABVMFG-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
Mycobacterium tuberculosis	Conserved protein	0.0042	0.1254	0.1254
Onchocerca volvulus	Cathepsin F homolog	0.0019	0.036	0.2125
Loa Loa (eye worm)	ctsf protein	0.0019	0.036	0.047
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Plasmodium vivax	vivapain-2	0.0019	0.036	0.2836
Leishmania major	cathepsin L-like protease	0.0072	0.241	1
Onchocerca volvulus		0.0019	0.036	0.2125
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.036	0.0686
Echinococcus granulosus	cysteine protease	0.001	0.0006	0.0012
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.036	0.2872
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.036	0.0675
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Onchocerca volvulus		0.0042	0.1254	1
Brugia malayi	beta-lactamase family protein	0.0042	0.1254	0.2381
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.1254	0.1254
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0019	0.036	0.0686
Loa Loa (eye worm)	hypothetical protein	0.0019	0.036	0.047
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0119	0.0215
Brugia malayi	Cathepsin L-like precursor	0.0019	0.036	0.0675
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.1254	0.239
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Echinococcus multilocularis	cysteine protease	0.0019	0.036	0.0686
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1254	0.2213
Brugia malayi	Cathepsin L-like precursor	0.0019	0.036	0.0675
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0019	0.036	0.0686
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Onchocerca volvulus		0.0019	0.036	0.2125
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.036	0.0686
Brugia malayi	RNA binding protein	0.0146	0.5246	1
Plasmodium vivax	vivapain-2	0.0019	0.036	0.2836
Leishmania major	cathepsin L-like protease	0.0072	0.241	1
Mycobacterium ulcerans	hypothetical protein	0.0042	0.1254	1
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0119	0.3182
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	0.241	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Echinococcus granulosus	cathepsin l1	0.0013	0.0119	0.0227
Onchocerca volvulus		0.0019	0.036	0.2125
Mycobacterium tuberculosis	Conserved protein	0.0042	0.1254	0.1254
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Brugia malayi	RNA recognition motif domain containing protein	0.0146	0.5246	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.4832	0.9192
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Loa Loa (eye worm)	RNA binding protein	0.0146	0.5246	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.1254	0.1254
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.036	0.2872
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1254	0.2213
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1254	0.2213
Onchocerca volvulus		0.0019	0.036	0.2125
Loa Loa (eye worm)	cysteine protease	0.0019	0.036	0.047
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.001	0.0006	0.0051
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0119	0.0227
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.036	0.2872
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	0.241	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0057	0.1815	0.7525
Echinococcus granulosus	tar DNA binding protein	0.0146	0.5246	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Schistosoma mansoni	tar DNA-binding protein	0.0146	0.5246	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0019	0.036	0.1472
Mycobacterium ulcerans	beta-lactamase	0.0042	0.1254	1
Leishmania major	cathepsin L-like protease	0.0072	0.241	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0119	0.0949
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0019	0.036	0.047
Toxoplasma gondii	ABC1 family protein	0.0042	0.1254	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.036	0.0675
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1254	1
Brugia malayi	beta-lactamase	0.0042	0.1254	0.2381
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.1254	0.1254
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.1254	0.239
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0019	0.036	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.036	0.0675
Entamoeba histolytica	cysteine protease, putative	0.0019	0.036	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.036	0.2872
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.1254	1
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0	0.5
Brugia malayi	MH2 domain containing protein	0.0135	0.4832	0.9209
Echinococcus multilocularis	cathepsin L	0.001	0.0006	0.0012
Echinococcus multilocularis	cysteine protease	0.0019	0.036	0.0686
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0019	0.036	0.047
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1254	0.2213
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.1254	0.5189
Brugia malayi	cathepsin L-like precursor	0.0013	0.0119	0.0215
Echinococcus granulosus	cathepsin L	0.001	0.0006	0.0012
Mycobacterium tuberculosis	Conserved protein	0.0042	0.1254	0.1254
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0006	0.0012
Schistosoma mansoni	tar DNA-binding protein	0.0146	0.5246	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0019	0.036	1
Onchocerca volvulus		0.0019	0.036	0.2125
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.1254	0.1254
Brugia malayi	beta-lactamase family protein	0.0042	0.1254	0.2381
Leishmania major	hypothetical protein, conserved	0.0042	0.1254	0.4359
Mycobacterium ulcerans	lipase LipD	0.0042	0.1254	1
Onchocerca volvulus		0.0019	0.036	0.2125
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.1254	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1254	0.5189
Loa Loa (eye worm)	TAR-binding protein	0.0146	0.5246	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.1254	1
Brugia malayi	TAR-binding protein	0.0146	0.5246	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.036	0.0686
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Schistosoma mansoni	tar DNA-binding protein	0.0146	0.5246	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0119	0.0949
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.036	0.2872
Brugia malayi	Cathepsin L-like precursor	0.0019	0.036	0.0675
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1254	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.036	0.2872
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.036	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.036	0.0686
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.1254	0.1254
Loa Loa (eye worm)	fibroinase	0.0019	0.036	0.047
Treponema pallidum	bacterioferrin (TpF1)	0.001	0	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0019	0.036	1
Onchocerca volvulus		0.0042	0.1254	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0006	0.0012
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.1254	0.239
Brugia malayi	Cathepsin L-like precursor	0.0019	0.036	0.0675
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.1254	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.036	0.0686
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0066	0.2169	0.8997
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.036	0.2872
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.036	0.2125
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.036	0.2872
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1254	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.1254	0.2213
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1254	0.2213
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	0.241	1
Schistosoma mansoni	tar DNA-binding protein	0.0146	0.5246	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0146	0.5246	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.1254	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1254	0.2213
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.036	0.2872
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.001	0.0006	0.0051
Loa Loa (eye worm)	beta-lactamase	0.0042	0.1254	0.2213
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1254	0.5189
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.036	0.2872
Onchocerca volvulus		0.0019	0.036	0.2125
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.4832	0.9192
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.036	0.2872
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0006	0.0012
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.036	0.0686
Mycobacterium leprae	Probable lipase LipE	0.0042	0.1254	1
Echinococcus granulosus	cathepsin L cysteine protease	0.001	0.0006	0.0012
Trypanosoma cruzi	cruzipain precursor, putative	0.0072	0.241	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.0119	0.0215
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.1254	1
Trichomonas vaginalis	esterase, putative	0.0042	0.1254	1
Echinococcus granulosus	cathepsin l1	0.0019	0.036	0.0686
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.241	1
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.036	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.1254	0.2381
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.036	0.2125
Echinococcus multilocularis	tar DNA binding protein	0.0146	0.5246	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.036	0.2872
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0119	0.0215
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.1254	0.239
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.1254	0.1254
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.1254	0.1254
Onchocerca volvulus		0.0042	0.1254	1
Schistosoma mansoni	tar DNA-binding protein	0.0146	0.5246	1

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 812455