TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 346.508 | Formula: C24H30N2
H donors: 1 H acceptors: 0 LogP: 4.39 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)C1CC2(CCNC1C(C2)c1ccccc1)N1CCCC1
InChi: 1S/C24H30N2/c1-3-9-19(10-4-1)21-17-24(26-15-7-8-16-26)13-14-25-23(21)22(18-24)20-11-5-2-6-12-20/h1-6,9-12,21-23,25H,7-8,13-18H2
InChiKey: JAUSJLJIGYRGJQ-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
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0130612	0.288023	0.239426
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0130612	0.288023	0.239426
Trypanosoma cruzi	cruzipain precursor, putative	0.0130612	0.288023	0.969553
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Brugia malayi	Cathepsin L-like precursor	0.0130612	0.288023	0.967874
Brugia malayi	Cathepsin L-like precursor	0.00851575	0.104645	0.175977
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0130612	0.288023	0.969553
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0130612	0.288023	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0130612	0.288023	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0130612	0.288023	0.239426
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 brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Entamoeba histolytica	cysteine protease, putative	0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.00851575	0.104645	0.225931
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.00851575	0.104645	0.225931
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
Onchocerca volvulus		0.0130612	0.288023	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.010789	0.196354	1
Echinococcus multilocularis	cysteine protease	0.0130612	0.288023	0.239426
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Entamoeba histolytica	cysteine proteinase, putative	0.00851575	0.104645	0.181818
Plasmodium vivax	vivapain-3	0.00750565	0.0638948	0.221839
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0132456	0.295462	1
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
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Entamoeba histolytica	cysteine proteinase, putative	0.0130612	0.288023	1
Loa Loa (eye worm)	ctsf protein	0.0130612	0.288023	0.969553
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
Onchocerca volvulus	Cathepsin F homolog	0.0130612	0.288023	1
Loa Loa (eye worm)	hypothetical protein	0.00851575	0.104645	0.219052
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.010789	0.196354	0.594384
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.00782731	0.0768712	0.108691
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
Echinococcus granulosus	cathepsin l1	0.0130612	0.288023	0.239426
Onchocerca volvulus		0.0130612	0.288023	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0130612	0.288023	1
Giardia lamblia	Cathepsin B precursor	0.00718905	0.0511222	0.260358
Toxoplasma gondii	cathepsin CPL	0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Plasmodium vivax	vivapain-1	0.00750565	0.0638948	0.221839
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0307093	1	1
Echinococcus granulosus	cathepsin b	0.0132456	0.295462	0.247373
Trypanosoma cruzi	cysteine proteinase, putative	0.00750565	0.0638948	0.0522737
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.00750565	0.0638948	0.0539153
Echinococcus multilocularis	sodium channel protein	0.0307093	1	1
Brugia malayi	Cathepsin L-like precursor	0.0130612	0.288023	0.967874
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0307093	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Echinococcus granulosus	cathepsin b	0.0132456	0.295462	0.247373
Brugia malayi	Cathepsin L-like precursor	0.00851575	0.104645	0.175977
Onchocerca volvulus		0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Toxoplasma gondii	cathepsin CPC1	0.010789	0.196354	0.681731
Trypanosoma cruzi	cysteine peptidase, putative	0.0130612	0.288023	0.969553
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.00750565	0.0638948	0.0522737
Leishmania major	cysteine peptidase A (CPA)	0.0130612	0.288023	0.249664
Trypanosoma cruzi	cysteine peptidase, putative	0.00750565	0.0638948	0.0522737
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.00851575	0.104645	0.175977
Onchocerca volvulus		0.0130612	0.288023	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Echinococcus granulosus	cathepsin l1	0.00851575	0.104645	0.043532
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0132456	0.295462	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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.00750565	0.0638948	0.0539153
Trypanosoma cruzi	cysteine peptidase, putative	0.0130612	0.288023	0.969553
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.00750565	0.0638948	0.0522737
Brugia malayi	Papain family cysteine protease containing protein	0.0130612	0.288023	0.967874
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.010789	0.196354	0.681731
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.010789	0.196354	0.681731
Schistosoma mansoni	cathepsin F (C01 family)	0.0130612	0.288023	0.969553
Trypanosoma cruzi	cysteine peptidase, putative	0.0130612	0.288023	0.969553
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0132456	0.295462	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0130612	0.288023	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0130612	0.288023	0.969553
Onchocerca volvulus		0.0130612	0.288023	1
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 brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Onchocerca volvulus	Cathepsin L homolog	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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Loa Loa (eye worm)	fibroinase	0.0130612	0.288023	0.969553
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Toxoplasma gondii	cathepsin B	0.00718905	0.0511222	0.177494
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.00750565	0.0638948	0.0539153
Loa Loa (eye worm)	hypothetical protein	0.0132456	0.295462	1
Schistosoma mansoni	cathepsin F (C01 family)	0.00851575	0.104645	0.219052
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0130612	0.288023	0.969553
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
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.010789	0.196354	0.681731
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.00851575	0.104645	0.219052
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Brugia malayi	cathepsin B-like cysteine proteinase	0.0132456	0.295462	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.010789	0.196354	0.681731
Onchocerca volvulus		0.0130612	0.288023	1
Echinococcus multilocularis	cysteine protease	0.0130612	0.288023	0.239426
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0130612	0.288023	1
Plasmodium vivax	vivapain-2	0.0130612	0.288023	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0132456	0.295462	1
Plasmodium vivax	unspecified product	0.00750565	0.0638948	0.221839
Echinococcus multilocularis	cathepsin b	0.0132456	0.295462	0.247373
Plasmodium vivax	vivapain-2	0.0130612	0.288023	1
Echinococcus granulosus	sodium channel protein	0.0307093	1	1
Giardia lamblia	Cathepsin B precursor	0.00718905	0.0511222	0.260358
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.00750565	0.0638948	0.221839
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0132456	0.295462	1
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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.00750565	0.0638948	0.0522737
Loa Loa (eye worm)	cysteine protease	0.0130612	0.288023	0.969553
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-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 brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Echinococcus multilocularis	cathepsin b	0.0132456	0.295462	0.247373
Giardia lamblia	Cathepsin B precursor	0.00718905	0.0511222	0.260358
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0130612	0.288023	0.239426
Schistosoma mansoni	cathepsin F (C01 family)	0.0130612	0.288023	0.969553
Onchocerca volvulus		0.0130612	0.288023	1
Leishmania major	cathepsin L-like protease	0.0130612	0.288023	0.249664
Brugia malayi	Cathepsin L-like precursor	0.0130612	0.288023	0.967874
Onchocerca volvulus	Cathepsin L homolog	0.0130612	0.288023	1
Loa Loa (eye worm)	hypothetical protein	0.0130612	0.288023	0.969553
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0130612	0.288023	1
Brugia malayi	Cathepsin L-like precursor	0.0130612	0.288023	0.967874
Toxoplasma gondii	preprocathepsin c precursor, putative	0.010789	0.196354	0.681731
Trypanosoma cruzi	cysteine proteinase, 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 multilocularis	cathepsin l cysteine peptidase	0.0130612	0.288023	0.239426
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0130612	0.288023	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.56 microM	Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 by microplate assay	ChEMBL.	19879671
IC50 (functional)	= 1.16 microM	Antiplasmodial activity against Trypanosoma brucei rhodesiense STIB 900 by microplate assay	ChEMBL.	19879671
IC50 (functional)	= 0.56 uM	Antiprotozoal activity against chloroquine and pyrimethamine resistant Plasmodium falciparum K1	ChEMBL.	16889962
IC50 (functional)	= 0.56 uM	Antiprotozoal activity against chloroquine and pyrimethamine resistant Plasmodium falciparum K1	ChEMBL.	16889962
IC50 (functional)	= 0.56 uM	Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 after 48 hrs as [3H]hypoxanthine uptake	ChEMBL.	19395265
IC50 (functional)	= 1.16 uM	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	ChEMBL.	16889962
IC50 (functional)	= 1.16 uM	Antitrypanosomal activity against Trypanosoma brucei rhodesiense after 72 hrs by alamar blue assay	ChEMBL.	19395265
IC50 (functional)	= 1.16 uM	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	ChEMBL.	16889962
IC50 (ADMET)	= 120.4 uM	Cytotoxicity against L6 cells	ChEMBL.	16889962
Ratio IC50 (functional)	= 103.8	Selectivity index, IC50 for L6 cells/ IC50 for Trypanosoma brucei rhodesience	ChEMBL.	16889962
Ratio IC50 (functional)	= 215	Selectivity index, IC50 for L6 cells/IC50 for Plasmodium falciparum K1	ChEMBL.	16889962

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma brucei gambiense		16889962
Plasmodium falciparum	ChEMBL23	16889962

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: CHEMBL375182

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 408715