TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 597.744 | Formula: C36H43N3O5
H donors: 3 H acceptors: 4 LogP: 6.71 Rotable bonds: 16
Rule of 5 violations (Lipinski): 2
SMILES: CC[C@@H]([C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1[C@@H]([C@H](NC(=O)[C@@H](NC(=O)c1ccc2c(c1)cccc2)C)CCc1ccccc1)C)C
InChi: 1S/C36H43N3O5/c1-5-21(2)31-32(44-36(31)43)35(42)39-30-20-28(30)22(3)29(18-15-24-11-7-6-8-12-24)38-33(40)23(4)37-34(41)27-17-16-25-13-9-10-14-26(25)19-27/h6-14,16-17,19,21-23,28-32H,5,15,18,20H2,1-4H3,(H,37,41)(H,38,40)(H,39,42)/t21-,22-,23-,28-,29+,30-,31-,32+/m0/s1
InChiKey: DWVIQELWWSHAMP-MLNKVOOQSA-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	0.0868	1	1
Entamoeba histolytica	cysteine proteinase 2	0.0177	0.1011	0.3184
Entamoeba histolytica	hypothetical protein	0.0143	0.057	0.1794
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Brugia malayi	Cathepsin L-like precursor	0.0343	0.3176	1
Brugia malayi	Papain family cysteine protease containing protein	0.0177	0.1011	0.3184
Loa Loa (eye worm)	hypothetical protein	0.023	0.17	0.5353
Plasmodium vivax	vivapain-2	0.0343	0.3176	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0343	0.3176	1
Onchocerca volvulus		0.0343	0.3176	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0343	0.3176	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0343	0.3176	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0113	0.0187	0.0187
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0177	0.1011	0.3184
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0343	0.3176	1
Entamoeba histolytica	hypothetical protein	0.0143	0.057	0.1794
Onchocerca volvulus		0.0343	0.3176	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Brugia malayi	Cathepsin L-like precursor	0.023	0.17	0.5353
Plasmodium vivax	vivapain-3	0.0177	0.1011	0.3184
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0343	0.3176	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0177	0.1011	0.3184
Leishmania major	cysteine peptidase A (CPA)	0.0343	0.3176	0.3176
Brugia malayi	Cathepsin L-like precursor	0.0343	0.3176	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0187	0.0589
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0343	0.3176	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Onchocerca volvulus		0.0343	0.3176	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0343	0.3176	1
Leishmania major	cathepsin L-like protease	0.0343	0.3176	0.3176
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0143	0.057	0.1794
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0187	0.0589
Trypanosoma cruzi	cysteine peptidase, putative	0.0868	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0343	0.3176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.023	0.17	0.5353
Entamoeba histolytica	cysteine protease, putative	0.0343	0.3176	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0343	0.3176	1
Entamoeba histolytica	cysteine proteinase, putative	0.0177	0.1011	0.3184
Entamoeba histolytica	cysteine proteinase, putative	0.0177	0.1011	0.3184
Schistosoma mansoni	cathepsin F (C01 family)	0.0343	0.3176	1
Onchocerca volvulus	Cathepsin F homolog	0.0343	0.3176	1
Onchocerca volvulus		0.0343	0.3176	1
Brugia malayi	hypothetical protein	0.0143	0.057	0.1794
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0343	0.3176	1
Echinococcus granulosus	cathepsin l1	0.023	0.17	0.5353
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0177	0.1011	0.3184
Entamoeba histolytica	cysteine proteinase, putative	0.0177	0.1011	0.3184
Brugia malayi	Cathepsin L-like precursor	0.0343	0.3176	1
Brugia malayi	Cathepsin L-like precursor	0.023	0.17	0.5353
Entamoeba histolytica	cysteine proteinase 1, putative	0.0177	0.1011	0.3184
Entamoeba histolytica	cysteine proteinase, putative	0.023	0.17	0.5353
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0343	0.3176	1
Mycobacterium ulcerans	proteasome PrcB	0.0099	0	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.0113	0.0187	0.0187
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0177	0.1011	0.1011
Echinococcus multilocularis	cathepsin L cysteine protease	0.0343	0.3176	1
Leishmania major	cathepsin L-like protease	0.0343	0.3176	0.3176
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Entamoeba histolytica	hypothetical protein	0.0143	0.057	0.1794
Schistosoma mansoni	hypothetical protein	0.0143	0.057	0.1794
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Plasmodium vivax	unspecified product	0.0177	0.1011	0.3184
Brugia malayi	Cathepsin L-like cysteine proteinase	0.023	0.17	0.5353
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0343	0.3176	1
Loa Loa (eye worm)	cysteine protease	0.0343	0.3176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.023	0.17	0.5353
Brugia malayi	Cathepsin L-like precursor	0.0343	0.3176	1
Leishmania major	cathepsin L-like protease	0.0343	0.3176	0.3176
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Loa Loa (eye worm)	hypothetical protein	0.0343	0.3176	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Echinococcus granulosus	cathepsin l1	0.0343	0.3176	1
Leishmania major	cathepsin L-like protease	0.0343	0.3176	0.3176
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0187	0.0589
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0099	0	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0343	0.3176	1
Loa Loa (eye worm)	fibroinase	0.0343	0.3176	1
Schistosoma mansoni	transcription factor LCR-F1	0.0143	0.057	0.1794
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0099	0	0.5
Loa Loa (eye worm)	ctsf protein	0.0343	0.3176	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0868	1	1
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Loa Loa (eye worm)	hypothetical protein	0.023	0.17	0.5353
Brugia malayi	Cathepsin L-like precursor	0.0343	0.3176	1
Onchocerca volvulus	Cathepsin L homolog	0.0343	0.3176	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0343	0.3176	0.3176
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0755	0.8524	0.8524
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0343	0.3176	1
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0113	0.0187	0.0589
Leishmania major	cathepsin L-like protease	0.0868	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0177	0.1011	0.3184
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0343	0.3176	1
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0177	0.1011	0.3184
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Plasmodium vivax	vivapain-1	0.0177	0.1011	0.3184
Echinococcus multilocularis	cysteine protease	0.0343	0.3176	1
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Brugia malayi	Papain family cysteine protease containing protein	0.0343	0.3176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Brugia malayi	Cathepsin L-like precursor	0.0343	0.3176	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0113	0.0187	0.0589
Schistosoma mansoni	cathepsin F (C01 family)	0.023	0.17	0.5353
Leishmania major	cathepsin L-like protease	0.0343	0.3176	0.3176
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0177	0.1011	0.3184
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0343	0.3176	1
Schistosoma mansoni	cathepsin s	0.0113	0.0187	0.0589
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0143	0.057	0.1794
Loa Loa (eye worm)	hypothetical protein	0.023	0.17	0.5353
Brugia malayi	Cathepsin L-like precursor	0.0113	0.0187	0.0589
Schistosoma mansoni	cathepsin F (C01 family)	0.0343	0.3176	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0343	0.3176	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0868	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0113	0.0187	0.0589
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Toxoplasma gondii	cathepsin CPL	0.0343	0.3176	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0343	0.3176	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Echinococcus granulosus	cathepsin L	0.0177	0.1011	0.3184
Onchocerca volvulus		0.0343	0.3176	1
Onchocerca volvulus		0.0343	0.3176	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0868	1	1
Entamoeba histolytica	hypothetical protein	0.0143	0.057	0.1794
Echinococcus granulosus	cysteine protease	0.0177	0.1011	0.3184
Trypanosoma cruzi	cysteine proteinase, putative	0.0177	0.1011	0.1011
Echinococcus multilocularis	cathepsin L	0.0177	0.1011	0.3184
Echinococcus multilocularis	cysteine protease	0.0343	0.3176	1
Trypanosoma cruzi	cysteine protease, putative	0.0177	0.1011	0.1011
Entamoeba histolytica	cysteine proteinase, putative	0.0177	0.1011	0.3184
Trypanosoma cruzi	major cysteine proteinase, putative	0.0588	0.636	0.636
Entamoeba histolytica	cysteine proteinase, putative	0.0343	0.3176	1
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Leishmania major	cathepsin L-like protease	0.0868	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0177	0.1011	0.1011
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0343	0.3176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0177	0.1011	0.3184
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0177	0.1011	0.1011
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Plasmodium vivax	unspecified product	0.0113	0.0187	0.0589
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Brugia malayi	Papain family cysteine protease containing protein	0.0177	0.1011	0.3184
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0099	0	0.5
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Trypanosoma cruzi	cysteine proteinase, putative	0.0177	0.1011	0.1011
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0343	0.3176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0343	0.3176	1
Onchocerca volvulus		0.0343	0.3176	1
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Entamoeba histolytica	cysteine protease, putative	0.0177	0.1011	0.3184
Brugia malayi	cathepsin L-like precursor	0.023	0.17	0.5353
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0343	0.3176	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0343	0.3176	1
Plasmodium vivax	vivapain-2	0.0343	0.3176	1
Entamoeba histolytica	cysteine proteinase, putative	0.0343	0.3176	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0177	0.1011	0.1011

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: CHEMBL2403105

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 1778247