TDR Targets

Basic information

Technical information

TDR Targets ID: 1321892
Name: 2-amino-6-butylsulfanyl-3H-pyrimidin-4-one
MW: 199.273 | Formula: C8H13N3OS
H donors: 2 H acceptors: 3 LogP: 1.93 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCCCSc1cc(O)nc(n1)N
InChi: 1S/C8H13N3OS/c1-2-3-4-13-7-5-6(12)10-8(9)11-7/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChiKey: NQOJODYDJOKULT-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

2-amino-6-(butylthio)-3H-pyrimidin-4-one
6307-45-5
NSC41331
MLS000737036
SMR000393992

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4E	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.053	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.053	1	1
Brugia malayi	Nuclear hormone receptor E75	0.025	0.3826	0.3826
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.025	0.3826	0.3826
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.053	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.053	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.028	0.4487	0.4487
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.025	0.3826	0.3826
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.053	1	1
Schistosoma mansoni	coup transcription factor	0.053	1	1
Echinococcus granulosus	FTZ F1 alpha	0.053	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.053	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.053	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Brugia malayi	hypothetical protein	0.025	0.3826	0.3826
Schistosoma mansoni	nuclear hormone receptor	0.025	0.3826	0.3826
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.028	0.4487	0.4487
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.053	1	1
Schistosoma mansoni	zinc finger protein	0.025	0.3826	0.3826
Echinococcus multilocularis	ecdysone induced protein 78C	0.053	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.053	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.053	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.053	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.053	1	1
Brugia malayi	hypothetical protein	0.028	0.4487	0.4487
Loa Loa (eye worm)	hypothetical protein	0.053	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.053	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.053	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.053	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.025	0.3826	0.3826
Onchocerca volvulus	Bile acid receptor homolog	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.053	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.025	0.3826	0.3826
Onchocerca volvulus	Protein ultraspiracle homolog	0.053	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.053	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.053	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.028	0.4487	0.4487
Brugia malayi	Nuclear hormone receptor-like 1	0.028	0.4487	0.4487
Loa Loa (eye worm)	DR-78	0.025	0.3826	0.3826
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.053	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Loa Loa (eye worm)	hypothetical protein	0.053	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.053	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.053	1	1
Brugia malayi	nuclear receptor RXR	0.028	0.4487	0.4487
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.053	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.025	0.3826	0.3826
Schistosoma mansoni	nuclear receptor nhr-48	0.025	0.3826	0.3826
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.028	0.4487	0.4487
Onchocerca volvulus		0.053	1	1
Brugia malayi	nuclear hormone receptor	0.053	1	1
Schistosoma mansoni	nuclear hormone receptor	0.025	0.3826	0.3826
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Loa Loa (eye worm)	nuclear hormone receptor	0.025	0.3826	0.3826
Brugia malayi	hypothetical protein	0.028	0.4487	0.4487
Brugia malayi	conserved hypotetical protein	0.025	0.3826	0.3826
Echinococcus multilocularis	nuclear receptor nhr 48	0.025	0.3826	0.3826
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Brugia malayi	nuclear hormone receptor family member nhr-6	0.025	0.3826	0.3826
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.025	0.3826	0.3826
Loa Loa (eye worm)	hypothetical protein	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.053	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.053	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.028	0.4487	0.4487
Brugia malayi	tailless protein	0.025	0.3826	0.3826
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.053	1	1
Brugia malayi	nuclear receptor NHR-88	0.053	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.053	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.028	0.4487	0.4487
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.025	0.3826	0.3826
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.053	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.053	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.053	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.053	1	1
Brugia malayi	hypothetical protein	0.025	0.3826	0.3826
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.053	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.025	0.3826	0.3826
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.053	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.053	1	1
Brugia malayi	Nuclear hormone receptor E75	0.025	0.3826	0.3826
Schistosoma mansoni	steroid hormone receptor ad4bp	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.053	1	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.025	0.3826	0.3826
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.053	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.053	1	1
Schistosoma mansoni	thyroid hormone receptor	0.053	1	1
Schistosoma mansoni	thyroid hormone receptor	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.028	0.4487	0.4487
Brugia malayi	Nuclear hormone receptor-like 1	0.028	0.4487	0.4487
Loa Loa (eye worm)	hypothetical protein	0.028	0.4487	0.4487
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Brugia malayi	steroid hormone receptor	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Echinococcus granulosus	Nuclear hormone receptor HR96	0.025	0.3826	0.3826
Echinococcus granulosus	thyroid hormone receptor alpha	0.025	0.3826	0.3826
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.053	1	1
Brugia malayi	nuclear hormone receptor	0.025	0.3826	0.3826
Brugia malayi	nuclear receptor NHR-67	0.025	0.3826	0.3826
Schistosoma mansoni	nuclear receptor	0.025	0.3826	0.3826
Echinococcus granulosus	Nuclear hormone receptor HR96	0.025	0.3826	0.3826
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.025	0.3826	0.3826
Loa Loa (eye worm)	hypothetical protein	0.028	0.4487	0.4487
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.053	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Loa Loa (eye worm)	hypothetical protein	0.028	0.4487	0.4487
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Brugia malayi	ecdysone receptor	0.025	0.3826	0.3826
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.053	1	1
Schistosoma mansoni	nuclear receptor	0.025	0.3826	0.3826
Echinococcus granulosus	nuclear receptor nhr 48	0.025	0.3826	0.3826
Brugia malayi	orphan nuclear receptor NR2E1	0.025	0.3826	0.3826
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.053	1	1
Brugia malayi	nuclear receptor RXR	0.025	0.3826	0.3826
Schistosoma mansoni	nuclear hormone receptor	0.053	1	1
Brugia malayi	nuclear receptor NHR-88	0.025	0.3826	0.3826
Loa Loa (eye worm)	hypothetical protein	0.025	0.3826	0.3826
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.053	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.053	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.025	0.3826	0.3826
Loa Loa (eye worm)	hypothetical protein	0.053	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.025	0.3826	0.3826
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.025	0.3826	0.3826
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.053	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 22.19 uM	PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1, non-receptor tyrosine kinase (Abl). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.5481 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1432383

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 1321892