TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 317.409 | Formula: C15H19N5OS
H donors: 1 H acceptors: 3 LogP: 0.96 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1n[nH]c2c1CCN(C2)Cc1nccs1)N1CCCC1
InChi: 1S/C15H19N5OS/c21-15(20-5-1-2-6-20)14-11-3-7-19(9-12(11)17-18-14)10-13-16-4-8-22-13/h4,8H,1-3,5-7,9-10H2,(H,17,18)
InChiKey: DKRITKWYJRHGOW-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
Echinococcus granulosus	tar DNA binding protein	0.0072	0.3205	0.2957
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0384	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0384	1
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0384	0.0033
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.3205	0.2957
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.481	0.4621
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0384	0.0033
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0352	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.481	0.4621
Loa Loa (eye worm)	RNA binding protein	0.0072	0.3205	0.6398
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0384	1
Loa Loa (eye worm)	TAR-binding protein	0.0072	0.3205	0.6398
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.3205	0.2957
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0384	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0384	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0384	1
Toxoplasma gondii	exonuclease III APE	0.0021	0.0352	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.481	0.4621
Leishmania major	DNA polymerase eta, putative	0.0022	0.0384	1
Echinococcus multilocularis	geminin	0.0192	1	1
Brugia malayi	TAR-binding protein	0.0072	0.3205	0.6398
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.3205	0.2957
Brugia malayi	RNA binding protein	0.0072	0.3205	0.6398
Trypanosoma brucei	unspecified product	0.0022	0.0384	1
Echinococcus multilocularis	tar DNA binding protein	0.0072	0.3205	0.2957
Schistosoma mansoni	hypothetical protein	0.0192	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.481	0.4621
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0352	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0384	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0384	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0384	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0352	0.9179
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0384	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0384	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0072	0.3205	0.6398
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0384	0.0071
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.481	0.4621
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0384	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0384	0.0071
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0384	1
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.3205	0.2957
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.01	0.481	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0384	1
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0384	1
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0384	0.0033
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0384	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0384	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0384	1
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0384	0.0033
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.01	0.481	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0352	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0384	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0384	0.0071
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0384	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0384	0.0071
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.0384	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0352	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0384	0.0033
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0384	1
Echinococcus granulosus	dna polymerase eta	0.0022	0.0384	0.0033
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0384	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.481	0.4621
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.481	0.4621
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0384	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0384	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0384	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0384	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0022	0.0384	1
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.3205	0.2957
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0384	1
Schistosoma mansoni	hypothetical protein	0.0192	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0072	0.3205	0.6398
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0384	0.0033
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0384	0.0033
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0384	0.0033

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: CHEMBL3552469

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 1154207