TDR Targets

Basic information

Technical information

TDR Targets ID: 805371
Name: 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2 -yl]sulfanyl-N-(4-sulfamoylphenyl)butanamide
MW: 487.595 | Formula: C22H25N5O4S2
H donors: 3 H acceptors: 4 LogP: 2.28 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)Sc1nc(=O)cc(n1CCc1ccccc1)N
InChi: 1S/C22H25N5O4S2/c1-2-18(21(29)25-16-8-10-17(11-9-16)33(24,30)31)32-22-26-20(28)14-19(23)27(22)13-12-15-6-4-3-5-7-15/h3-11,14,18H,2,12-13,23H2,1H3,(H,25,29)(H2,24,30,31)
InChiKey: FEKUXQJFGXBUAT-UHFFFAOYSA-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

2-[[6-amino-4-oxo-1-(2-phenylethyl)-2-pyrimidinyl]thio]-N-(4-sulfamoylphenyl)butanamide
2-[[6-amino-4-keto-1-(2-phenylethyl)pyrimidin-2-yl]thio]-N-(4-sulfamoylphenyl)butyramide
A3548/0150397

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	hepatocyte nuclear factor 4 alpha	0.0011	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0294	0.0294
Loa Loa (eye worm)	serotonin transporter b	0.0024	0.1242	0.1242
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3957	1
Brugia malayi	TAR-binding protein	0.0061	0.3957	0.3957
Echinococcus granulosus	serotonin transporter	0.0024	0.1242	0.1242
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0294	0.0294
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0024	0.1242	0.1242
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.001	0.0263	0.5
Onchocerca volvulus		0.0011	0.0294	0.2364
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0294	0.0294
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.3062	0.3062
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0294	0.0294
Schistosoma mansoni	glutamate receptor NMDA	0.0034	0.199	0.5029
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0294	0.0294
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3957	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0294	0.0294
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0294	0.0294
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.3062	0.3062
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0055	0.3492	0.3492
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0294	0.0742
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.001	0.0263	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0294	0.0294
Onchocerca volvulus		0.0024	0.1242	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0294	0.0294
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0294	0.0294
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.3957	0.3957
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0294	0.2364
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0294	0.0294
Loa Loa (eye worm)	RNA binding protein	0.0061	0.3957	0.3957
Loa Loa (eye worm)	hypothetical protein	0.0144	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0294	0.0294
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0294	0.0294
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.3062	0.3062
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0294	0.0294
Echinococcus granulosus	tar DNA binding protein	0.0061	0.3957	0.3957
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0034	0.199	0.199
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0294	0.2364
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0294	0.0294
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0294	0.0294
Echinococcus multilocularis	nmda type glutamate receptor	0.0014	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1242	0.1242
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0294	0.0294
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0294	0.0742
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0294	0.0742
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0294	0.0294
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0294	0.0294
Echinococcus granulosus	biogenic amine 5HT receptor	0.0055	0.3492	0.3492
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.3957	0.3957
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0014	0.0557	0.0557
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0294	0.0294
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0294	0.0294
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0294	0.0294
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.3062	0.3062
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0294	0.0294
Chlamydia trachomatis	glutamine binding protein	0.001	0.0263	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0294	0.0294
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0024	0.1242	0.1242
Schistosoma mansoni	sodium/chloride dependent transporter	0.0024	0.1242	0.3138
Schistosoma mansoni	coup transcription factor	0.0011	0.0294	0.0742
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0294	0.0294
Echinococcus multilocularis	muscleblind protein 1	0.0144	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0294	0.0294
Echinococcus multilocularis	serotonin receptor	0.0055	0.3492	0.3492
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0294	0.0742
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0294	0.0294
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0294	0.0742
Echinococcus multilocularis	serotonin transporter	0.0024	0.1242	0.1242
Treponema pallidum	sodium- and chloride- dependent transporter	0.0024	0.1242	1
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0294	0.2364
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0294	0.0294
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0294	0.0294
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.3957	0.3957
Brugia malayi	RNA binding protein	0.0061	0.3957	0.3957
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0294	0.0294
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0294	0.0742
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1242	0.1242
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0294	0.0294
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0024	0.1242	0.3138
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0294	0.0294
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0294	0.0742
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0294	0.0294
Echinococcus multilocularis	muscleblind protein	0.0144	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0294	0.0294
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.001	0.0263	0.5
Echinococcus granulosus	muscleblind protein	0.0144	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0294	0.0742
Brugia malayi	nuclear hormone receptor	0.0011	0.0294	0.0294
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3957	1
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0294	0.0294
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0294	0.0294
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0294	0.0294
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0294	0.0294
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.3062	0.7737
Echinococcus multilocularis	serotonin receptor	0.0055	0.3492	0.3492
Echinococcus granulosus	nmda type glutamate receptor	0.0014	0.0557	0.0557
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0055	0.3492	0.8823
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0294	0.0742
Loa Loa (eye worm)	norepinephrine transporter	0.0024	0.1242	0.1242
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.3957	0.3957
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0294	0.0294
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.3062	0.3062
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0294	0.0294
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0294	0.0742
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0144	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0294	0.0294
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.3062	0.7737
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0294	0.0294
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0294	0.0742
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3957	1
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0034	0.199	0.199
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.3062	0.3062
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.3062	0.7737
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3957	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1242	0.1242
Brugia malayi	steroid hormone receptor	0.0011	0.0294	0.0294
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0294	0.0294
Brugia malayi	ecdysteroid receptor	0.0011	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0055	0.3492	0.3492
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0294	0.0742
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0294	0.0294

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

Search by Saint Jude

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 805371