TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 405.312 | Formula: C17H17BrN4OS
H donors: 1 H acceptors: 3 LogP: 3.59 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cccc(c1)Br
InChi: 1S/C17H17BrN4OS/c1-2-24-17-20-16-19-12-7-4-8-13(23)14(12)15(22(16)21-17)10-5-3-6-11(18)9-10/h3,5-6,9,15,23H,2,4,7-8H2,1H3
InChiKey: PLSIRBNQEOQIKW-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	hypothetical protein	0.0034	0.5659	0.9168
Onchocerca volvulus		0.0013	0	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.1661	0.1674
Plasmodium vivax	vivapain-2	0.0013	0	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1661	0.1627
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.1661	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1661	0.1627
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.1661	0.2692
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.1661	0.2692
Onchocerca volvulus		0.0013	0	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0708	0.1147
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Onchocerca volvulus		0.0013	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1661	0.1627
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.1661	0.2692
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0013	0	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.6173	1
Toxoplasma gondii	cathepsin CPL	0.0013	0	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0708	0.1147
Leishmania major	DNA polymerase eta, putative	0.0019	0.1661	0.1661
Trypanosoma brucei	unspecified product	0.0019	0.1661	0.1627
Brugia malayi	hypothetical protein	0.0036	0.6173	0.6219
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0708	0.1147
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.1661	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.1661	0.1661
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.1661	0.1661
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1661	0.1627
Entamoeba histolytica	hypothetical protein	0.0036	0.6173	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.1661	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0013	0	0.5
Onchocerca volvulus		0.0013	0	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0708	0.1147
Giardia lamblia	DINP protein human, muc B family	0.0019	0.1661	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1661	0.1627
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.1661	0.2692
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0708	0.1147
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.1661	0.1674
Onchocerca volvulus	Cathepsin L homolog	0.0013	0	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0708	0.0713
Loa Loa (eye worm)	hypothetical protein	0.0034	0.5659	0.5702
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.1661	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.9926	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Plasmodium vivax	vivapain-2	0.0013	0	0.5
Echinococcus granulosus	dna polymerase kappa	0.0019	0.1661	0.2692
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0708	0.0713
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0045	0.8824	0.8824
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.005	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1661	0.1627
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1661	0.1661
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1661	0.1627
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1661	0.1627
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1661	0.1627
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0013	0	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0013	0	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1661	0.1661
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.1661	0.2692
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.6173	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0708	0.1147
Entamoeba histolytica	hypothetical protein	0.0036	0.6173	1
Onchocerca volvulus		0.0013	0	0.5
Echinococcus granulosus	dna polymerase eta	0.0019	0.1661	0.2692
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.5659	0.5702
Trypanosoma cruzi	cysteine peptidase, putative	0.005	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.005	1	1
Echinococcus multilocularis	dna polymerase eta	0.0019	0.1661	0.2692
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.6173	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.1661	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0708	0.1147
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0708	0.0713
Leishmania major	DNA polymerase kappa, putative	0.0019	0.1661	0.1661
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.1661	0.1674
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1661	0.1661
Onchocerca volvulus		0.0013	0	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.9926	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1661	0.1627
Echinococcus granulosus	GPCR family 2	0.0016	0.0708	0.1147
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.1661	1
Onchocerca volvulus		0.0013	0	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.6173	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1661	0.1627
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0708	0.1147
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.9926	1
Leishmania major	cathepsin L-like protease	0.005	1	1
Schistosoma mansoni	hypothetical protein	0.0036	0.6173	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.1661	0.1627
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0013	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.005	1	1
Schistosoma mansoni	DNA polymerase eta	0.0019	0.1661	0.2692
Entamoeba histolytica	hypothetical protein	0.0036	0.6173	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0039	0.7098	0.7098
Loa Loa (eye worm)	hypothetical protein	0.0019	0.1661	0.1674
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.1661	0.2692
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.1661	0.1627
Loa Loa (eye worm)	hypothetical protein	0.005	0.9926	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0708	0.1147
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1661	0.1627
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0708	0.0713
Trypanosoma cruzi	cruzipain precursor, putative	0.005	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.1661	0.1661
Leishmania major	cathepsin L-like protease	0.005	1	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 840332