TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 450.658 | Formula: C32H38N2
H donors: 0 H acceptors: 0 LogP: 6.81 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)CCN1CCC2(CC(C1C(C2)c1ccccc1)c1ccccc1)N1CCCC1
InChi: 1S/C32H38N2/c1-4-12-26(13-5-1)18-22-33-23-19-32(34-20-10-11-21-34)24-29(27-14-6-2-7-15-27)31(33)30(25-32)28-16-8-3-9-17-28/h1-9,12-17,29-31H,10-11,18-25H2
InChiKey: IICFZHYLKLBMKX-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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 brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0132456	0.295462	1
Echinococcus multilocularis	cysteine protease	0.0130612	0.288023	0.239426
Toxoplasma gondii	cathepsin B	0.00718905	0.0511222	0.177494
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0130612	0.288023	0.239426
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Giardia lamblia	Cathepsin B precursor	0.00718905	0.0511222	0.260358
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.00750565	0.0638948	0.0522737
Plasmodium vivax	unspecified product	0.00750565	0.0638948	0.221839
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0130612	0.288023	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0130612	0.288023	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0130612	0.288023	0.969553
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0307093	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Trypanosoma cruzi	cysteine peptidase, putative	0.00750565	0.0638948	0.0522737
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.00750565	0.0638948	0.0539153
Echinococcus granulosus	cathepsin l1	0.00851575	0.104645	0.043532
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0130612	0.288023	1
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0307093	1	1
Loa Loa (eye worm)	hypothetical protein	0.00851575	0.104645	0.219052
Loa Loa (eye worm)	hypothetical protein	0.00851575	0.104645	0.219052
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0130612	0.288023	1
Echinococcus multilocularis	sodium channel protein	0.0307093	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.00750565	0.0638948	0.0539153
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Schistosoma mansoni	cathepsin F (C01 family)	0.00851575	0.104645	0.219052
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Loa Loa (eye worm)	hypothetical protein	0.0132456	0.295462	1
Echinococcus granulosus	cathepsin b	0.0132456	0.295462	0.247373
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0130612	0.288023	0.969553
Brugia malayi	Cathepsin L-like precursor	0.00851575	0.104645	0.175977
Onchocerca volvulus	Cathepsin F homolog	0.0130612	0.288023	1
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0132456	0.295462	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.010789	0.196354	0.594384
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.00851575	0.104645	0.225931
Onchocerca volvulus		0.0130612	0.288023	1
Echinococcus granulosus	cathepsin b	0.0132456	0.295462	0.247373
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.010789	0.196354	0.681731
Schistosoma mansoni	cathepsin F (C01 family)	0.0130612	0.288023	0.969553
Entamoeba histolytica	cysteine proteinase, putative	0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Plasmodium vivax	vivapain-1	0.00750565	0.0638948	0.221839
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.010789	0.196354	0.681731
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.010789	0.196354	0.681731
Brugia malayi	Cathepsin L-like precursor	0.0130612	0.288023	0.967874
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Brugia malayi	Cathepsin L-like precursor	0.0130612	0.288023	0.967874
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.00750565	0.0638948	0.0522737
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0132456	0.295462	1
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Entamoeba histolytica	cysteine proteinase, putative	0.0130612	0.288023	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0130612	0.288023	0.969553
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.010789	0.196354	0.681731
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0130612	0.288023	1
Onchocerca volvulus		0.0130612	0.288023	1
Loa Loa (eye worm)	ctsf protein	0.0130612	0.288023	0.969553
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.00851575	0.104645	0.219052
Loa Loa (eye worm)	hypothetical protein	0.00851575	0.104645	0.219052
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Trypanosoma cruzi	cysteine protease, putative	0.00750565	0.0638948	0.0522737
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0130612	0.288023	0.969553
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.00750565	0.0638948	0.0539153
Brugia malayi	Papain family cysteine protease containing protein	0.0130612	0.288023	0.967874
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Echinococcus granulosus	cathepsin l1	0.0130612	0.288023	0.239426
Toxoplasma gondii	cathepsin CPL	0.0130612	0.288023	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0130612	0.288023	0.969553
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0130612	0.288023	0.239426
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Brugia malayi	Cathepsin L-like precursor	0.00851575	0.104645	0.175977
Brugia malayi	Cathepsin L-like precursor	0.0130612	0.288023	0.967874
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0132456	0.295462	1
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.00782731	0.0768712	0.108691
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0130612	0.288023	0.239426
Onchocerca volvulus		0.0130612	0.288023	1
Leishmania major	cysteine peptidase A (CPA)	0.0130612	0.288023	0.249664
Echinococcus multilocularis	cathepsin b	0.0132456	0.295462	0.247373
Trypanosoma cruzi	cysteine proteinase, putative	0.00750565	0.0638948	0.0522737
Echinococcus multilocularis	cathepsin L cysteine protease	0.0130612	0.288023	0.239426
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.00851575	0.104645	0.175977
Brugia malayi	Cathepsin L-like precursor	0.0130612	0.288023	0.967874
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Trypanosoma cruzi	cysteine proteinase, putative	0.00750565	0.0638948	0.0522737
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0130612	0.288023	0.239426
Toxoplasma gondii	preprocathepsin c precursor, putative	0.010789	0.196354	0.681731
Plasmodium vivax	vivapain-3	0.00750565	0.0638948	0.221839
Toxoplasma gondii	cathepsin CPC1	0.010789	0.196354	0.681731
Plasmodium vivax	vivapain-2	0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Plasmodium vivax	vivapain-2	0.0130612	0.288023	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0130612	0.288023	0.239426
Loa Loa (eye worm)	cysteine protease	0.0130612	0.288023	0.969553
Onchocerca volvulus	Cathepsin L homolog	0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.00851575	0.104645	0.225931
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Echinococcus multilocularis	cysteine protease	0.0130612	0.288023	0.239426
Plasmodium falciparum	cysteine proteinase falcipain 1	0.00750565	0.0638948	0.221839
Trypanosoma cruzi	cysteine peptidase, putative	0.0130612	0.288023	0.969553
Loa Loa (eye worm)	fibroinase	0.0130612	0.288023	0.969553
Trypanosoma cruzi	cysteine peptidase, putative	0.0130612	0.288023	0.969553
Onchocerca volvulus		0.0130612	0.288023	1
Brugia malayi	cathepsin L-like precursor	0.00851575	0.104645	0.175977
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0132456	0.295462	1
Onchocerca volvulus	Cathepsin L homolog	0.0130612	0.288023	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.010789	0.196354	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.00750565	0.0638948	0.0522737
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.00750565	0.0638948	0.0539153
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Brugia malayi	Cathepsin L-like precursor	0.0130612	0.288023	0.967874
Entamoeba histolytica	cysteine protease, putative	0.0130612	0.288023	1
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Entamoeba histolytica	cysteine proteinase, putative	0.00851575	0.104645	0.181818
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Echinococcus granulosus	sodium channel protein	0.0307093	1	1
Brugia malayi	Cathepsin L-like precursor	0.0130612	0.288023	0.967874
Trypanosoma cruzi	cysteine peptidase, putative	0.0130612	0.288023	0.969553
Echinococcus multilocularis	cathepsin b	0.0132456	0.295462	0.247373
Onchocerca volvulus		0.0130612	0.288023	1
Onchocerca volvulus		0.0130612	0.288023	1
Onchocerca volvulus		0.0130612	0.288023	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.00750565	0.0638948	0.0522737
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Giardia lamblia	Cathepsin B precursor	0.00718905	0.0511222	0.260358
Brugia malayi	cathepsin B-like cysteine proteinase	0.0132456	0.295462	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Giardia lamblia	Cathepsin B precursor	0.00718905	0.0511222	0.260358
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Loa Loa (eye worm)	hypothetical protein	0.0130612	0.288023	0.969553

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.93 microM	Antiplasmodial activity against Trypanosoma brucei rhodesiense STIB 900 by microplate assay	ChEMBL.	19879671
IC50 (functional)	= 0.96 microM	Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 by microplate assay	ChEMBL.	19879671

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma brucei gambiense		19879671
Plasmodium falciparum		19879671

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: CHEMBL570563

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 1070446