TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 269.141 | Formula: C10H13BrN4
H donors: 1 H acceptors: 2 LogP: 2.63 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(NCCC)n2c(n1)c(Br)cn2
InChi: 1S/C10H13BrN4/c1-3-4-12-9-5-7(2)14-10-8(11)6-13-15(9)10/h5-6,12H,3-4H2,1-2H3
InChiKey: IVWWQCWQCAQQDD-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	0.002	0.1053	0.1641
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0042	0.4673	0.4251
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.4225	0.6586
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.1053	0.1432
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0868	0.1181
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0053	0.6414	0.613
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.4225	0.6586
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0868	0.0235
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.4666	0.7274
Entamoeba histolytica	hypothetical protein	0.0042	0.471	0.7343
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0734	0.1145
Leishmania major	cathepsin L-like protease	0.0075	1	1
Leishmania major	cathepsin L-like protease	0.002	0.1053	0.0343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.2924	0.4559
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.2975	0.4638
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.2975	0.4638
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0053	0.6414	0.613
Echinococcus granulosus	GPCR family 2	0.0019	0.0868	0.1353
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.7348	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.1053	0.1641
Giardia lamblia	GTOR	0.0053	0.6414	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.2975	0.4638
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.1053	0.1641
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.1053	0.056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.4666	0.7274
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Loa Loa (eye worm)	ctsf protein	0.002	0.1053	0.1432
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0053	0.6414	1
Leishmania major	cathepsin L-like protease	0.002	0.1053	0.0343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0039	0.4225	1
Leishmania major	cathepsin L-like protease	0.002	0.1053	0.0343
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.2476	0.386
Echinococcus granulosus	cathepsin l1	0.002	0.1053	0.1641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.2476	0.386
Entamoeba histolytica	hypothetical protein	0.0042	0.471	0.7343
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.5165	0.8052
Plasmodium vivax	vivapain-2	0.002	0.1053	0.5
Schistosoma mansoni	hypothetical protein	0.0042	0.471	0.7343
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0734	0.1145
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.1053	0.1641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.4225	0.6586
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.1053	0.056
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0053	0.6414	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.1053	0.1432
Onchocerca volvulus		0.002	0.1053	1
Entamoeba histolytica	cysteine protease, putative	0.002	0.1053	0.1641
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.1053	0.1641
Onchocerca volvulus	Cathepsin L homolog	0.002	0.1053	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.4666	0.7274
Onchocerca volvulus		0.002	0.1053	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0014	0.0161	0.0252
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0053	0.6414	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0868	0.1353
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.1053	0.1641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.4666	0.7274
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.002	0.1053	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Onchocerca volvulus		0.002	0.1053	1
Entamoeba histolytica	hypothetical protein	0.0042	0.471	0.7343
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.1053	0.1641
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0053	0.6414	0.613
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.1053	0.1432
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0053	0.6414	0.613
Leishmania major	cathepsin L-like protease	0.002	0.1053	0.0343
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.3416	0.5326
Schistosoma mansoni	hypothetical protein	0.0019	0.0868	0.1353
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0053	0.6414	0.8729
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.4225	0.6586
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Loa Loa (eye worm)	phosphatidylinositol 3	0.0053	0.6414	0.8729
Brugia malayi	Cathepsin L-like precursor	0.002	0.1053	0.1432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.2476	0.386
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0868	0.1181
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0734	0.1145
Brugia malayi	hypothetical protein	0.0042	0.471	0.641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.2483	0.3871
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.1053	0.056
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.7348	1
Onchocerca volvulus	Cathepsin L homolog	0.002	0.1053	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0868	0.0235
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.6414	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.4225	0.6586
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.471	0.7343
Brugia malayi	Cathepsin L-like precursor	0.002	0.1053	0.1432
Leishmania major	cysteine peptidase A (CPA)	0.002	0.1053	0.0343
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.6414	1
Loa Loa (eye worm)	cysteine protease	0.002	0.1053	0.1432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.4225	0.6586
Onchocerca volvulus		0.002	0.1053	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.3601	0.5614
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.2924	0.4559
Loa Loa (eye worm)	hypothetical protein	0.004	0.4349	0.5918
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0868	0.1181
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0734	0.1145
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0068	0.8947	0.8864
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.002	0.1053	0.5
Leishmania major	cathepsin L-like protease	0.002	0.1053	0.0343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.2483	0.3871
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.2483	0.3871
Echinococcus multilocularis	cysteine protease	0.002	0.1053	0.056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.6414	1
Schistosoma mansoni	hypothetical protein	0.004	0.4349	0.678
Brugia malayi	Cathepsin L-like precursor	0.002	0.1053	0.1432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.2483	0.3871
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0868	0.1353
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.1053	0.1641
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0734	0.0999
Onchocerca volvulus	Cathepsin F homolog	0.002	0.1053	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0053	0.6414	0.613
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0734	0.1145
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.1053	0.056
Schistosoma mansoni	hypothetical protein	0.0019	0.0868	0.1353
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0734	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.4666	0.7274
Brugia malayi	Cathepsin L-like precursor	0.002	0.1053	0.1432
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.1053	0.1641
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Entamoeba histolytica	hypothetical protein	0.0042	0.471	0.7343
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0025	0.191	0.1269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.4225	0.6586
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0868	0.0235
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.1053	0.1641
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.1053	0.0343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0053	0.6414	0.613
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.1053	0.1641
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.7404	0.7198
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.471	0.6999
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.1053	0.1641
Schistosoma mansoni	hypothetical protein	0.0019	0.0868	0.1353
Leishmania major	cathepsin L-like protease	0.0075	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.1053	0.1641
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.1053	0.1432
Onchocerca volvulus		0.002	0.1053	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.1053	0.1432
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0042	0.4673	0.4251
Plasmodium vivax	vivapain-2	0.002	0.1053	0.5
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.1053	0.1641
Loa Loa (eye worm)	hypothetical protein	0.0059	0.7348	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0734	0.1145
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.1053	0.1641
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0022	0.1418	0.0738
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.4349	0.5918
Onchocerca volvulus		0.002	0.1053	1
Loa Loa (eye worm)	fibroinase	0.002	0.1053	0.1432
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0868	0.1181
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.1053	0.1641
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0734	0.0999
Echinococcus multilocularis	cysteine protease	0.002	0.1053	0.056
Plasmodium falciparum	cysteine proteinase falcipain 3	0.002	0.1053	0.5
Brugia malayi	Cathepsin L-like precursor	0.002	0.1053	0.1432
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.7348	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0868	0.1353
Trypanosoma cruzi	target of rapamycin kinase 3	0.0042	0.4673	0.4251
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.1053	0.1641
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0053	0.6414	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0053	0.6414	1
Onchocerca volvulus		0.002	0.1053	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.1053	0.1641
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.471	0.7343

Activities

No activities found for this compound.

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: CHEMBL3247362

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 1891155