TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 313.394 | Formula: C18H23N3O2
H donors: 2 H acceptors: 2 LogP: 4.12 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C(/c1ccc(nc1)Oc1cccc(c1)C)\NC(CC)(C)C
InChi: 1S/C18H23N3O2/c1-5-18(3,4)20-17(21-22)14-9-10-16(19-12-14)23-15-8-6-7-13(2)11-15/h6-12,22H,5H2,1-4H3,(H,20,21)
InChiKey: BBGGOMJKOPUOMA-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, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6593	0.6593
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0838	0.6593	1
Onchocerca volvulus	Cathepsin L homolog	0.0838	0.6593	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0571	0.3905	0.3905
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0571	0.3905	0.3347
Echinococcus granulosus	cathepsin b	0.1176	1	1
Loa Loa (eye worm)	hypothetical protein	0.0571	0.3905	0.3905
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0838	0.6593	1
Entamoeba histolytica	cysteine protease, putative	0.0838	0.6593	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0267	0.0839	0.0839
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0267	0.0839	0.0839
Trypanosoma cruzi	cysteine proteinase, putative	0.0446	0.265	0.1977
Trypanosoma cruzi	cysteine peptidase, putative	0.0838	0.6593	0.6281
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Loa Loa (eye worm)	cysteine protease	0.0838	0.6593	0.6593
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0633	0.4535	0.4535
Trypanosoma cruzi	cruzipain precursor, putative	0.0838	0.6593	0.6281
Entamoeba histolytica	cysteine proteinase, putative	0.0571	0.3905	0.3182
Leishmania major	cathepsin L-like protease	0.0838	0.6593	1
Loa Loa (eye worm)	hypothetical protein	0.0267	0.0839	0.0839
Plasmodium vivax	unspecified product	0.0446	0.265	0.3148
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0838	0.6593	0.6593
Leishmania major	cathepsin L-like protease	0.0838	0.6593	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Echinococcus multilocularis	cathepsin b	0.1176	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0838	0.6593	1
Leishmania major	cysteine peptidase A (CPA)	0.0838	0.6593	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6593	0.6593
Loa Loa (eye worm)	hypothetical protein	0.0571	0.3905	0.3905
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Giardia lamblia	Cathepsin B precursor	0.0488	0.3066	0.5
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6593	0.6593
Onchocerca volvulus		0.0838	0.6593	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0446	0.265	0.1977
Onchocerca volvulus		0.0838	0.6593	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0633	0.4535	0.4535
Echinococcus granulosus	cathepsin l1	0.0838	0.6593	0.6593
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0838	0.6593	0.6593
Trypanosoma cruzi	cysteine peptidase, putative	0.0446	0.265	0.1977
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0446	0.265	0.265
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6593	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0446	0.265	0.265
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0838	0.6593	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1176	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0838	0.6593	0.6593
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0633	0.4535	0.4535
Plasmodium vivax	vivapain-2	0.0838	0.6593	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0446	0.265	0.265
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Giardia lamblia	Cathepsin B precursor	0.0488	0.3066	0.5
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0446	0.265	0.1977
Echinococcus granulosus	cathepsin b	0.1176	1	1
Brugia malayi	cathepsin L-like precursor	0.0571	0.3905	0.3905
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6593	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0838	0.6593	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Brugia malayi	Cathepsin L-like precursor	0.0571	0.3905	0.3905
Echinococcus multilocularis	cathepsin b	0.1176	1	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0488	0.3066	0.1055
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0446	0.265	0.265
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0633	0.4535	0.4535
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6593	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Echinococcus multilocularis	cysteine protease	0.0838	0.6593	0.6593
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1176	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0488	0.3066	0.1055
Loa Loa (eye worm)	hypothetical protein	0.0838	0.6593	0.6593
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0838	0.6593	0.6593
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Loa Loa (eye worm)	fibroinase	0.0838	0.6593	0.6593
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6593	1
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6593	0.6593
Loa Loa (eye worm)	cathepsin B	0.0488	0.3066	0.3066
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6593	0.6593
Onchocerca volvulus	Cathepsin F homolog	0.0838	0.6593	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0571	0.3905	0.3182
Onchocerca volvulus		0.0838	0.6593	1
Schistosoma mansoni	voltage-gated potassium channel	0.0692	0.5121	0.5121
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0838	0.6593	0.6593
Echinococcus granulosus	cathepsin l1	0.0571	0.3905	0.3905
Schistosoma mansoni	cathepsin s	0.0267	0.0839	0.0839
Leishmania major	cathepsin L-like protease	0.0838	0.6593	1
Leishmania major	cathepsin L-like protease	0.0838	0.6593	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Echinococcus granulosus	cysteine protease	0.0446	0.265	0.265
Loa Loa (eye worm)	hypothetical protein	0.0571	0.3905	0.3905
Echinococcus multilocularis	cathepsin L cysteine protease	0.0838	0.6593	0.6593
Plasmodium vivax	vivapain-3	0.0446	0.265	0.3148
Leishmania major	cathepsin L-like protease	0.0838	0.6593	1
Echinococcus multilocularis	cysteine protease	0.0838	0.6593	0.6593
Schistosoma mansoni	cathepsin F (C01 family)	0.0838	0.6593	0.6593
Loa Loa (eye worm)	hypothetical protein	0.055	0.3692	0.3692
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Entamoeba histolytica	cysteine proteinase, putative	0.0838	0.6593	1
Leishmania major	cathepsin L-like protease	0.0838	0.6593	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0838	0.6593	0.6281
Loa Loa (eye worm)	hypothetical protein	0.0267	0.0839	0.0839
Loa Loa (eye worm)	hypothetical protein	0.1176	1	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0267	0.0839	0.0839
Brugia malayi	Cathepsin L-like precursor	0.0267	0.0839	0.0839
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1176	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0838	0.6593	0.6593
Onchocerca volvulus		0.0838	0.6593	1
Leishmania major	cathepsin L-like protease	0.0838	0.6593	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6593	1
Echinococcus multilocularis	cathepsin L	0.0446	0.265	0.265
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6593	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0488	0.3066	0.2431
Plasmodium vivax	vivapain-2	0.0838	0.6593	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0838	0.6593	0.6281
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Brugia malayi	Papain family cysteine protease containing protein	0.0446	0.265	0.265
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6593	1
Brugia malayi	Papain family cysteine protease containing protein	0.0446	0.265	0.265
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6593	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0571	0.3905	0.3182
Toxoplasma gondii	cathepsin CPL	0.0838	0.6593	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6593	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0838	0.6593	0.6281
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6593	0.6593
Echinococcus granulosus	cathepsin L	0.0446	0.265	0.265
Onchocerca volvulus		0.0838	0.6593	1
Onchocerca volvulus		0.0838	0.6593	1
Schistosoma mansoni	voltage-gated potassium channel	0.0692	0.5121	0.5121
Leishmania major	cathepsin L-like protease	0.0838	0.6593	1
Brugia malayi	Cathepsin L-like precursor	0.0571	0.3905	0.3905
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6593	1
Entamoeba histolytica	cysteine proteinase, putative	0.0838	0.6593	1
Loa Loa (eye worm)	ctsf protein	0.0838	0.6593	0.6593
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1176	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0488	0.3066	0.3066
Echinococcus multilocularis	cathepsin L cysteine protease	0.0838	0.6593	0.6593
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Brugia malayi	Papain family cysteine protease containing protein	0.0838	0.6593	0.6593
Loa Loa (eye worm)	hypothetical protein	0.0267	0.0839	0.0839
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1176	1	1
Trypanosoma cruzi	cysteine protease, putative	0.0446	0.265	0.1977
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0838	0.6593	0.6593
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0571	0.3905	0.3905
Onchocerca volvulus	Cathepsin L homolog	0.0838	0.6593	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0592	0.4115	0.3714
Onchocerca volvulus		0.0838	0.6593	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6593	1
Plasmodium vivax	vivapain-1	0.0446	0.265	0.3148
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0592	0.4115	0.3714
Giardia lamblia	Cathepsin B precursor	0.0488	0.3066	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 67 %	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: CHEMBL1859964

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 1043986