TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 286.172 | Formula: C10H16BrN5
H donors: 3 H acceptors: 1 LogP: -0.04 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NCC[C@H]1CNC(=N1)Nc1cccnc1.Br
InChi: 1S/C10H15N5.BrH/c11-4-3-9-7-13-10(15-9)14-8-2-1-5-12-6-8;/h1-2,5-6,9H,3-4,7,11H2,(H2,13,14,15);1H/t9-;/m0./s1
InChiKey: JUHWMCGYCJPWQH-FVGYRXGTSA-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
Echinococcus multilocularis	cysteine protease	0.07	0.7029	0.6599
Plasmodium falciparum	cysteine proteinase falcipain 3	0.07	0.7029	1
Echinococcus granulosus	cysteine protease	0.0373	0.3602	0.2675
Giardia lamblia	Cathepsin B precursor	0.0408	0.3966	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0477	0.4692	0.5946
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Brugia malayi	Cathepsin L-like precursor	0.07	0.7029	0.7029
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Echinococcus granulosus	cathepsin L cysteine protease	0.0373	0.3602	0.2675
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.07	0.7029	0.6599
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0983	1	1
Loa Loa (eye worm)	hypothetical protein	0.0223	0.2027	0.2027
Leishmania major	cathepsin L-like protease	0.07	0.7029	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.1264	0.1264
Onchocerca volvulus		0.07	0.7029	1
Onchocerca volvulus	Cathepsin L homolog	0.07	0.7029	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0408	0.3966	0.3093
Echinococcus multilocularis	cathepsin b	0.0983	1	1
Plasmodium vivax	vivapain-3	0.0373	0.3602	0.4054
Trypanosoma cruzi	cysteine protease, putative	0.0373	0.3602	0.2675
Leishmania major	cathepsin L-like protease	0.07	0.7029	1
Brugia malayi	Cathepsin L-like precursor	0.07	0.7029	0.7029
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0983	1	1
Echinococcus granulosus	cathepsin b	0.0983	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.015	0.1264	0.1264
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0408	0.3966	0.4687
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.015	0.1264	0.1264
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0223	0.2027	0.2027
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.07	0.7029	0.6599
Brugia malayi	cathepsin L-like precursor	0.0477	0.4692	0.4692
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0373	0.3602	0.4054
Plasmodium vivax	vivapain-2	0.07	0.7029	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Loa Loa (eye worm)	ctsf protein	0.07	0.7029	0.7029
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.07	0.7029	1
Entamoeba histolytica	cysteine proteinase, putative	0.0373	0.3602	0.4054
Echinococcus granulosus	cathepsin l cysteine peptidase	0.07	0.7029	0.6599
Brugia malayi	cathepsin F-like cysteine proteinase	0.0223	0.2027	0.2027
Brugia malayi	Cathepsin L-like precursor	0.07	0.7029	0.7029
Loa Loa (eye worm)	hypothetical protein	0.015	0.1264	0.1264
Leishmania major	cathepsin L-like protease	0.07	0.7029	1
Loa Loa (eye worm)	hypothetical protein	0.0477	0.4692	0.4692
Brugia malayi	Papain family cysteine protease containing protein	0.0373	0.3602	0.3602
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0373	0.3602	0.2675
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0477	0.4692	0.4692
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0373	0.3602	0.2675
Entamoeba histolytica	cysteine proteinase, putative	0.0477	0.4692	0.5946
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0373	0.3602	0.2675
Schistosoma mansoni	cathepsin F (C01 family)	0.07	0.7029	0.6599
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0223	0.2027	0.2027
Brugia malayi	cathepsin L-like cysteine proteinase	0.015	0.1264	0.1264
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0477	0.4692	0.5946
Echinococcus multilocularis	cathepsin L cysteine protease	0.07	0.7029	0.6599
Onchocerca volvulus		0.07	0.7029	1
Echinococcus multilocularis	cathepsin L	0.0373	0.3602	0.2675
Brugia malayi	cathepsin Z-like cysteine proteinase	0.015	0.1264	0.1264
Trypanosoma cruzi	cruzipain precursor, putative	0.0223	0.2027	0.0873
Giardia lamblia	Cathepsin B precursor	0.0408	0.3966	1
Echinococcus granulosus	cathepsin l1	0.0477	0.4692	0.3924
Entamoeba histolytica	cysteine proteinase, putative	0.07	0.7029	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.015	0.1264	0.1264
Echinococcus multilocularis	cysteine protease	0.07	0.7029	0.6599
Schistosoma mansoni	cathepsin F (C01 family)	0.0477	0.4692	0.3924
Brugia malayi	Cathepsin L-like precursor	0.0477	0.4692	0.4692
Leishmania major	cysteine peptidase A (CPA)	0.07	0.7029	1
Trypanosoma cruzi	cysteine peptidase, putative	0.07	0.7029	0.6599
Brugia malayi	Papain family cysteine protease containing protein	0.07	0.7029	0.7029
Brugia malayi	Cathepsin L-like precursor	0.0477	0.4692	0.4692
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0373	0.3602	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Onchocerca volvulus		0.07	0.7029	1
Loa Loa (eye worm)	fibroinase	0.07	0.7029	0.7029
Entamoeba histolytica	cysteine proteinase, putative	0.0373	0.3602	0.4054
Echinococcus multilocularis	cathepsin b	0.0983	1	1
Leishmania major	cathepsin L-like protease	0.07	0.7029	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0408	0.3966	0.3093
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.07	0.7029	0.6599
Onchocerca volvulus		0.07	0.7029	1
Onchocerca volvulus		0.07	0.7029	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.07	0.7029	1
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.07	0.7029	1
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0477	0.4692	0.4692
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.07	0.7029	1
Onchocerca volvulus		0.0477	0.4692	0.5946
Onchocerca volvulus		0.07	0.7029	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Loa Loa (eye worm)	hypothetical protein	0.0223	0.2027	0.2027
Brugia malayi	fibroinase precursor	0.015	0.1264	0.1264
Brugia malayi	cathepsin Z-like cysteine proteinase	0.015	0.1264	0.1264
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.07	0.7029	0.7029
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0983	1	1
Loa Loa (eye worm)	hypothetical protein	0.0223	0.2027	0.2027
Echinococcus multilocularis	cathepsin L cysteine protease	0.07	0.7029	0.6599
Entamoeba histolytica	cysteine proteinase 2	0.0373	0.3602	0.4054
Giardia lamblia	Cathepsin B precursor	0.0408	0.3966	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Echinococcus granulosus	cathepsin b	0.0983	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0477	0.4692	0.3924
Entamoeba histolytica	cysteine proteinase, putative	0.07	0.7029	1
Onchocerca volvulus	Cathepsin L homolog	0.07	0.7029	1
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.015	0.1264	0.1264
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.07	0.7029	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0373	0.3602	0.2675
Trypanosoma cruzi	cysteine peptidase, putative	0.0223	0.2027	0.0873
Brugia malayi	Cathepsin L-like precursor	0.07	0.7029	0.7029
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.07	0.7029	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0373	0.3602	0.4054
Schistosoma mansoni	cathepsin s	0.0223	0.2027	0.0873
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.1264	0.1264
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0373	0.3602	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Brugia malayi	Papain family cysteine protease containing protein	0.015	0.1264	0.1264
Trypanosoma cruzi	cysteine peptidase, putative	0.0373	0.3602	0.2675
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Loa Loa (eye worm)	cathepsin B	0.0408	0.3966	0.3966
Plasmodium vivax	unspecified product	0.0223	0.2027	0.1322
Toxoplasma gondii	cathepsin B	0.0408	0.3966	0.4687
Loa Loa (eye worm)	hypothetical protein	0.07	0.7029	0.7029
Onchocerca volvulus		0.07	0.7029	1
Schistosoma mansoni	cathepsin F (C01 family)	0.07	0.7029	0.6599
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.07	0.7029	1
Brugia malayi	Papain family cysteine protease containing protein	0.015	0.1264	0.1264
Loa Loa (eye worm)	hypothetical protein	0.015	0.1264	0.1264
Leishmania major	cathepsin L-like protease	0.07	0.7029	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.07	0.7029	0.6599
Onchocerca volvulus	Cathepsin F homolog	0.07	0.7029	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Brugia malayi	cathepsin L precursor	0.015	0.1264	0.1264
Echinococcus granulosus	cathepsin l1	0.07	0.7029	0.6599
Trypanosoma cruzi	cruzipain precursor, putative	0.07	0.7029	0.6599
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0983	1	1
Loa Loa (eye worm)	hypothetical protein	0.0477	0.4692	0.4692
Echinococcus granulosus	cathepsin L	0.0373	0.3602	0.2675
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.07	0.7029	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Plasmodium vivax	vivapain-2	0.07	0.7029	1
Brugia malayi	Papain family cysteine protease containing protein	0.0373	0.3602	0.3602
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Brugia malayi	Cathepsin L-like precursor	0.0223	0.2027	0.2027
Leishmania major	cathepsin L-like protease	0.07	0.7029	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.07	0.7029	0.7029
Trypanosoma cruzi	cysteine proteinase, putative	0.0373	0.3602	0.2675
Loa Loa (eye worm)	cysteine protease	0.07	0.7029	0.7029
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.07	0.7029	1
Brugia malayi	Cathepsin L-like precursor	0.07	0.7029	0.7029
Brugia malayi	Papain family cysteine protease containing protein	0.015	0.1264	0.1264
Leishmania major	cathepsin L-like protease	0.07	0.7029	1
Plasmodium vivax	unspecified product	0.0373	0.3602	0.4054
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.015	0.1264	0.1264
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.07	0.7029	0.6599
Trypanosoma cruzi	cysteine peptidase, putative	0.07	0.7029	0.6599
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.07	0.7029	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0983	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.07	0.7029	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.07	0.7029	1
Entamoeba histolytica	cysteine proteinase, putative	0.0373	0.3602	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0983	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0373	0.3602	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Loa Loa (eye worm)	hypothetical protein	0.015	0.1264	0.1264
Plasmodium vivax	vivapain-1	0.0373	0.3602	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0373	0.3602	0.2675
Entamoeba histolytica	cysteine protease, putative	0.0373	0.3602	0.4054
Loa Loa (eye worm)	hypothetical protein	0.015	0.1264	0.1264
Leishmania major	cathepsin L-like protease	0.07	0.7029	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.07	0.7029	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.07	0.7029	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.07	0.7029	1
Toxoplasma gondii	cathepsin CPL	0.07	0.7029	1
Brugia malayi	Cathepsin L-like precursor	0.07	0.7029	0.7029
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0408	0.3966	0.1064
Entamoeba histolytica	cysteine protease, putative	0.07	0.7029	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 1000000 nM	Inhibition of Sprague-Dawley rat imidazoline I1 receptor	ChEMBL.	21159515

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: CHEMBL1644494

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 1461488