TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 560.599 | Formula: C33H28N4O5
H donors: 1 H acceptors: 2 LogP: 6.38 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccccc1N1CCN(CC1)c1cc(Nc2ccc3c(c2)OCCO3)c2c3c1noc3c1c(C2=O)cccc1
InChi: 1S/C33H28N4O5/c1-39-26-9-5-4-8-24(26)36-12-14-37(15-13-36)25-19-23(34-20-10-11-27-28(18-20)41-17-16-40-27)29-30-31(25)35-42-33(30)22-7-3-2-6-21(22)32(29)38/h2-11,18-19,34H,12-17H2,1H3
InChiKey: IVIVEFBIQMLDIB-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
Giardia lamblia	Cathepsin B precursor	0.0409	0.1886	1
Giardia lamblia	Cathepsin B precursor	0.0409	0.1886	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0743	0.6834	1
Echinococcus granulosus	cathepsin l1	0.0743	0.6834	0.614
Schistosoma mansoni	cathepsin F (C01 family)	0.0743	0.6834	0.6455
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0409	0.1886	0.0126
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0743	0.6834	0.6731
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0743	0.6834	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0743	0.6834	0.614
Entamoeba histolytica	cysteine protease, putative	0.0743	0.6834	1
Loa Loa (eye worm)	hypothetical protein	0.0743	0.6834	0.6362
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Leishmania major	cysteine peptidase A (CPA)	0.0743	0.6834	0.7058
Leishmania major	cathepsin L-like protease	0.0743	0.6834	0.7058
Echinococcus multilocularis	cathepsin L cysteine protease	0.0743	0.6834	0.614
Trypanosoma cruzi	cysteine protease, putative	0.0403	0.1797	0.1529
Schistosoma mansoni	cathepsin F (C01 family)	0.0743	0.6834	0.6455
Onchocerca volvulus		0.0743	0.6834	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0743	0.6834	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0409	0.1886	0.276
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0743	0.6834	0.614
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0403	0.1797	0.0816
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0409	0.1886	0.1622
Onchocerca volvulus		0.0743	0.6834	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0504	0.329	0.2488
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0743	0.6834	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Loa Loa (eye worm)	hypothetical protein	0.0504	0.329	0.2291
Loa Loa (eye worm)	cysteine protease	0.0743	0.6834	0.6362
Onchocerca volvulus		0.0743	0.6834	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Brugia malayi	Cathepsin L-like precursor	0.0743	0.6834	0.6362
Trypanosoma cruzi	cruzipain precursor, putative	0.0882	0.8897	0.8861
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0956	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0743	0.6834	1
Brugia malayi	Cathepsin L-like precursor	0.0743	0.6834	0.6362
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0369	0.1297	0.1897
Loa Loa (eye worm)	hypothetical protein	0.0956	1	1
Giardia lamblia	Cathepsin B precursor	0.0409	0.1886	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0504	0.329	0.2291
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0743	0.6834	1
Giardia lamblia	Cathepsin B precursor	0.0369	0.1297	0.2794
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0403	0.1797	0.1264
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0504	0.329	0.4815
Brugia malayi	Papain family cysteine protease containing protein	0.0403	0.1797	0.0575
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0956	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0403	0.1797	0.2629
Echinococcus granulosus	cathepsin b	0.0956	1	1
Loa Loa (eye worm)	cathepsin B	0.0409	0.1886	0.0677
Trypanosoma cruzi	cysteine peptidase, putative	0.0882	0.8897	0.8861
Brugia malayi	Cathepsin L-like precursor	0.0743	0.6834	0.6362
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0369	0.1297	0.1897
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0369	0.1297	0.1897
Onchocerca volvulus		0.0743	0.6834	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0403	0.1797	0.1529
Leishmania major	cathepsin L-like protease	0.0743	0.6834	0.7058
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0743	0.6834	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Toxoplasma gondii	cathepsin CPL	0.0743	0.6834	1
Brugia malayi	Cathepsin L-like precursor	0.0743	0.6834	0.6362
Onchocerca volvulus		0.0743	0.6834	1
Brugia malayi	cathepsin L-like precursor	0.0504	0.329	0.2291
Plasmodium vivax	vivapain-2	0.0743	0.6834	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Leishmania major	cathepsin L-like protease	0.0882	0.8897	1
Brugia malayi	Papain family cysteine protease containing protein	0.0743	0.6834	0.6362
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0409	0.1886	0.0916
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0743	0.6834	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0743	0.6834	1
Brugia malayi	Cathepsin L-like precursor	0.0504	0.329	0.2291
Loa Loa (eye worm)	ctsf protein	0.0743	0.6834	0.6362
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0403	0.1797	0.1529
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0403	0.1797	0.0816
Brugia malayi	Cathepsin L-like precursor	0.0504	0.329	0.2291
Brugia malayi	Papain family cysteine protease containing protein	0.0403	0.1797	0.0575
Leishmania major	cathepsin L-like protease	0.0882	0.8897	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0743	0.6834	0.6362
Loa Loa (eye worm)	hypothetical protein	0.0504	0.329	0.2291
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0882	0.8897	0.8861
Echinococcus multilocularis	cysteine protease	0.0743	0.6834	0.614
Plasmodium vivax	unspecified product	0.0403	0.1797	0.1264
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Echinococcus multilocularis	cysteine protease	0.0743	0.6834	0.614
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0504	0.329	0.4815
Brugia malayi	Cathepsin L-like precursor	0.0743	0.6834	0.6362
Leishmania major	cathepsin L-like protease	0.0882	0.8897	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0403	0.1797	0.1529
Echinococcus granulosus	cathepsin l1	0.0504	0.329	0.1821
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Leishmania major	cathepsin L-like protease	0.0743	0.6834	0.7058
Plasmodium vivax	vivapain-2	0.0743	0.6834	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0743	0.6834	1
Entamoeba histolytica	cysteine proteinase, putative	0.0743	0.6834	1
Onchocerca volvulus	Cathepsin L homolog	0.0743	0.6834	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0743	0.6834	0.614
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0956	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0403	0.1797	0.0816
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0743	0.6834	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0743	0.6834	1
Echinococcus multilocularis	cathepsin b	0.0956	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0403	0.1797	0.1529
Onchocerca volvulus		0.0743	0.6834	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0743	0.6834	0.614
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0369	0.1297	0.1897
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0882	0.8897	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0743	0.6834	1
Toxoplasma gondii	cathepsin B	0.0409	0.1886	0.1419
Echinococcus multilocularis	cathepsin b	0.0956	1	1
Leishmania major	cathepsin L-like protease	0.0743	0.6834	0.7058
Onchocerca volvulus	Cathepsin L homolog	0.0743	0.6834	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0956	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0743	0.6834	0.614
Echinococcus granulosus	cathepsin b	0.0956	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0403	0.1797	0.2629
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0743	0.6834	1
Brugia malayi	Cathepsin L-like precursor	0.0743	0.6834	0.6362
Loa Loa (eye worm)	fibroinase	0.0743	0.6834	0.6362
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0882	0.8897	0.8861
Plasmodium vivax	vivapain-1	0.0403	0.1797	0.1264
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0743	0.6834	0.6362
Entamoeba histolytica	cysteine proteinase, putative	0.0504	0.329	0.2965
Plasmodium vivax	vivapain-3	0.0403	0.1797	0.1264
Loa Loa (eye worm)	hypothetical protein	0.0504	0.329	0.2291
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0743	0.6834	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0956	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0743	0.6834	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0643	0.5353	0.5202
Onchocerca volvulus		0.0743	0.6834	1
Leishmania major	cathepsin L-like protease	0.0743	0.6834	0.7058
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0743	0.6834	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 848831