TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 391.506 | Formula: C24H29N3O2
H donors: 1 H acceptors: 1 LogP: 3.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cccc(c1)c1occ(n1)CNC1CCN(CC1)Cc1ccccc1
InChi: 1S/C24H29N3O2/c1-2-28-23-10-6-9-20(15-23)24-26-22(18-29-24)16-25-21-11-13-27(14-12-21)17-19-7-4-3-5-8-19/h3-10,15,18,21,25H,2,11-14,16-17H2,1H3
InChiKey: DRWNKVNVFPPQAU-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
Schistosoma mansoni	voltage-gated potassium channel	0.0186	0.0547	0.0547
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0707	0.8075	1
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1137	0.1137
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0362	0.3093	0.3093
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1137	0.1137
Plasmodium vivax	vivapain-2	0.0707	0.8075	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0707	0.8075	1
Schistosoma mansoni	voltage-gated potassium channel	0.0701	0.7979	0.7979
Brugia malayi	Papain family cysteine protease containing protein	0.0707	0.8075	0.8075
Toxoplasma gondii	cathepsin B	0.0362	0.3093	0.383
Leishmania major	cathepsin L-like protease	0.0707	0.8075	1
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0227	0.1137	0.1137
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.3274	0.4054
Echinococcus granulosus	cathepsin b	0.0841	1	1
Giardia lamblia	Cathepsin B precursor	0.0362	0.3093	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0707	0.8075	0.8075
Entamoeba histolytica	cysteine proteinase 1, putative	0.0375	0.3274	0.4054
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0707	0.8075	0.8075
Entamoeba histolytica	cysteine proteinase, putative	0.0481	0.4802	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0707	0.8075	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Echinococcus granulosus	cathepsin b	0.0841	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0707	0.8075	0.8075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0642	0.7128	0.7128
Loa Loa (eye worm)	ctsf protein	0.0707	0.8075	0.8075
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0375	0.3274	0.0363
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0707	0.8075	0.8075
Echinococcus granulosus	cysteine protease	0.0375	0.3274	0.3274
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0375	0.3274	0.0363
Echinococcus granulosus	cathepsin l1	0.0481	0.4802	0.4802
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.3274	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0707	0.8075	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.06	0.6519	0.8072
Onchocerca volvulus		0.0707	0.8075	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0375	0.3274	0.3274
Loa Loa (eye worm)	hypothetical protein	0.0186	0.0547	0.0547
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0375	0.3274	0.4054
Schistosoma mansoni	voltage-gated potassium channel	0.0186	0.0547	0.0547
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Plasmodium vivax	vivapain-2	0.0707	0.8075	1
Echinococcus multilocularis	cysteine protease	0.0707	0.8075	0.8075
Leishmania major	cathepsin L-like protease	0.0707	0.8075	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0186	0.0547	0.0547
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Schistosoma mansoni	voltage-gated potassium channel	0.0701	0.7979	0.7979
Leishmania major	cathepsin L-like protease	0.0707	0.8075	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Toxoplasma gondii	cathepsin CPL	0.0707	0.8075	1
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0186	0.0547	0.0547
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0186	0.0547	0.0547
Echinococcus granulosus	cathepsin L cysteine protease	0.0375	0.3274	0.3274
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Echinococcus multilocularis	cathepsin b	0.0841	1	1
Onchocerca volvulus		0.0707	0.8075	1
Entamoeba histolytica	cysteine proteinase, putative	0.0707	0.8075	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0707	0.8075	1
Plasmodium vivax	unspecified product	0.0227	0.1137	0.1408
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0642	0.7128	0.7128
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0481	0.4802	0.4802
Brugia malayi	Papain family cysteine protease containing protein	0.0375	0.3274	0.3274
Loa Loa (eye worm)	hypothetical protein	0.0557	0.5905	0.5905
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0481	0.4802	0.4802
Onchocerca volvulus		0.0481	0.4802	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0841	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0707	0.8075	0.8075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0642	0.7128	0.7128
Brugia malayi	Cathepsin L-like precursor	0.0481	0.4802	0.4802
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1137	0.1137
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0707	0.8075	1
Entamoeba histolytica	cysteine proteinase, putative	0.0707	0.8075	1
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Echinococcus multilocularis	cathepsin L	0.0375	0.3274	0.3274
Loa Loa (eye worm)	hypothetical protein	0.0707	0.8075	0.8075
Echinococcus granulosus	voltage gated potassium channel	0.0186	0.0547	0.0547
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.06	0.6519	0.8072
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0375	0.3274	0.3274
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0362	0.3093	0.383
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0481	0.4802	0.5946
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Trypanosoma cruzi	cysteine protease, putative	0.0375	0.3274	0.3274
Entamoeba histolytica	cysteine proteinase 2	0.0375	0.3274	0.4054
Onchocerca volvulus		0.0707	0.8075	1
Leishmania major	cathepsin L-like protease	0.0707	0.8075	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Onchocerca volvulus	Cathepsin F homolog	0.0707	0.8075	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0227	0.1137	0.1137
Brugia malayi	Cathepsin L-like precursor	0.0707	0.8075	0.8075
Trypanosoma cruzi	cruzipain precursor, putative	0.0227	0.1137	0.1137
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0707	0.8075	0.8075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0481	0.4802	0.5946
Loa Loa (eye worm)	cathepsin B	0.0362	0.3093	0.3093
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0707	0.8075	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0707	0.8075	0.8075
Loa Loa (eye worm)	hypothetical protein	0.0481	0.4802	0.4802
Loa Loa (eye worm)	fibroinase	0.0707	0.8075	0.8075
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0642	0.7128	0.7128
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0707	0.8075	0.8075
Entamoeba histolytica	cysteine proteinase, putative	0.0375	0.3274	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0707	0.8075	1
Onchocerca volvulus		0.0707	0.8075	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0227	0.1137	0.1137
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0841	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0707	0.8075	1
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0707	0.8075	0.8075
Schistosoma mansoni	cathepsin F (C01 family)	0.0707	0.8075	0.8075
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0707	0.8075	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0375	0.3274	0.3274
Entamoeba histolytica	cysteine protease, putative	0.0707	0.8075	1
Brugia malayi	cathepsin L-like precursor	0.0481	0.4802	0.4802
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Plasmodium vivax	unspecified product	0.0375	0.3274	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Plasmodium vivax	vivapain-1	0.0375	0.3274	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0227	0.1137	0.1137
Loa Loa (eye worm)	cysteine protease	0.0707	0.8075	0.8075
Onchocerca volvulus	Cathepsin L homolog	0.0707	0.8075	1
Schistosoma mansoni	cathepsin s	0.0227	0.1137	0.1137
Brugia malayi	Papain family cysteine protease containing protein	0.0375	0.3274	0.3274
Echinococcus granulosus	cathepsin l1	0.0707	0.8075	0.8075
Entamoeba histolytica	cysteine proteinase, putative	0.0375	0.3274	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0707	0.8075	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0707	0.8075	1
Echinococcus multilocularis	cathepsin b	0.0841	1	1
Echinococcus multilocularis	cysteine protease	0.0707	0.8075	0.8075
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0841	1	1
Leishmania major	cathepsin L-like protease	0.0707	0.8075	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0375	0.3274	0.3274
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Brugia malayi	Cathepsin L-like precursor	0.0707	0.8075	0.8075
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0375	0.3274	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0481	0.4802	0.4802
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0707	0.8075	1
Brugia malayi	Cathepsin L-like precursor	0.0707	0.8075	0.8075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Entamoeba histolytica	cysteine proteinase, putative	0.0375	0.3274	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0707	0.8075	1
Onchocerca volvulus		0.0707	0.8075	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0707	0.8075	1
Giardia lamblia	Cathepsin B precursor	0.0362	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0481	0.4802	0.4802
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0362	0.3093	0.3093
Onchocerca volvulus		0.0707	0.8075	1
Plasmodium vivax	vivapain-3	0.0375	0.3274	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0375	0.3274	0.4054
Onchocerca volvulus		0.0707	0.8075	1
Leishmania major	cathepsin L-like protease	0.0707	0.8075	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0481	0.4802	0.4802
Trypanosoma cruzi	cysteine peptidase, putative	0.0375	0.3274	0.3274
Onchocerca volvulus	Cathepsin L homolog	0.0707	0.8075	1
Giardia lamblia	Cathepsin B precursor	0.0362	0.3093	1
Brugia malayi	Cathepsin L-like precursor	0.0707	0.8075	0.8075
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0841	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0707	0.8075	0.8075
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0707	0.8075	0.8075
Loa Loa (eye worm)	hypothetical protein	0.0481	0.4802	0.4802
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0375	0.3274	0.3274
Trypanosoma cruzi	cysteine proteinase, putative	0.0375	0.3274	0.3274
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Brugia malayi	Cathepsin L-like precursor	0.0227	0.1137	0.1137
Echinococcus multilocularis	voltage gated potassium channel	0.0186	0.0547	0.0547
Echinococcus granulosus	cathepsin L	0.0375	0.3274	0.3274
Leishmania major	cathepsin L-like protease	0.0707	0.8075	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0707	0.8075	0.8075
Brugia malayi	Cathepsin L-like precursor	0.0707	0.8075	0.8075
Trypanosoma cruzi	cysteine peptidase, putative	0.0707	0.8075	0.8075
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0707	0.8075	1
Brugia malayi	Cathepsin L-like precursor	0.0707	0.8075	0.8075
Trypanosoma cruzi	cysteine peptidase, putative	0.0707	0.8075	0.8075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0707	0.8075	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0841	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0841	1	1
Leishmania major	cathepsin L-like protease	0.0707	0.8075	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 12 %	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1	ChEMBL.	No reference

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: CHEMBL1861747

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 1052643