TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 468.655 | Formula: C26H36N4O2S
H donors: 3 H acceptors: 2 LogP: 5.41 Rotable bonds: 14
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCCCC(=O)Nc1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)C(C)(C)C)C
InChi: 1S/C26H36N4O2S/c1-26(2,3)20-12-10-19(11-13-20)24(32)29-25(33)28-22-16-14-21(15-17-22)27-23(31)9-7-6-8-18-30(4)5/h10-17H,6-9,18H2,1-5H3,(H,27,31)(H2,28,29,32,33)
InChiKey: YEZNTUDVYCFLNA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	sirtuin 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	Get druggable targets OG5_129944	All targets in OG5_129944
Schistosoma mansoni	chromatin regulatory protein sir2	Get druggable targets OG5_129944	All targets in OG5_129944
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	Get druggable targets OG5_129944	All targets in OG5_129944
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	Get druggable targets OG5_129944	All targets in OG5_129944
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	Get druggable targets OG5_129944	All targets in OG5_129944
Giardia lamblia	NAD-dependent histone deacetylase Sir2	Get druggable targets OG5_129944	All targets in OG5_129944
Candida albicans	one of two genes similar to S. cerevisiae SIR2 (YDL042C) NAD+-dependent histone deacetylase	Get druggable targets OG5_129944	All targets in OG5_129944
Candida albicans	one of two genes similar to S. cerevisiae SIR2 (YDL042C) NAD+-dependent histone deacetylase	Get druggable targets OG5_129944	All targets in OG5_129944
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	Get druggable targets OG5_129944	All targets in OG5_129944
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	Get druggable targets OG5_129944	All targets in OG5_129944
Schistosoma japonicum	ko:K01463 sirtuin 1 (silent mating type information regulation 2, homolog) 1 [EC:3.5.1.-], putative	Get druggable targets OG5_129944	All targets in OG5_129944
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129944	All targets in OG5_129944
Brugia malayi	NAD-dependent deacetylase SIRT1	Get druggable targets OG5_129944	All targets in OG5_129944
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129944	All targets in OG5_129944
Schistosoma japonicum	expressed protein	Get druggable targets OG5_129944	All targets in OG5_129944

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	chromatin regulatory protein sir2	0.002	0.0002	0.0002
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.013	0.3049	0.3049
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.002	0.0002	0.0049
Echinococcus granulosus	zinc finger protein Ran binding	0.013	0.3049	0.3049
Echinococcus granulosus	chromatin regulatory protein sir2	0.002	0.0002	0.0002
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.002	0.0002	0.0002
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 6	0.002	0.0002	0.0002
Plasmodium vivax	hypothetical protein, conserved	0.0366	0.956	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.013	0.3049	1
Schistosoma mansoni	hypothetical protein	0.013	0.3049	0.319
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.013	0.3049	0.3049
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0747	0.0781
Schistosoma mansoni	fusion	0.013	0.3049	0.319
Brugia malayi	transcriptional regulator, Sir2 family protein	0.002	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0366	0.956	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0366	0.956	0.956
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0418	0.0437
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.013	0.3049	0.319
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.013	0.3049	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.013	0.3049	0.3049
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.002	0.0002	0.0049
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0366	0.956	1
Giardia lamblia	Sirtuin type 2	0.002	0.0002	0.0006
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.013	0.3049	0.319
Echinococcus multilocularis	expressed protein	0.0382	1	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0366	0.956	0.956
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0747	0.0747
Entamoeba histolytica	hypothetical protein	0.0037	0.0471	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0863	0.0903
Loa Loa (eye worm)	hypothetical protein	0.013	0.3049	0.319
Leishmania major	sir2-family protein-like protein	0.002	0.0002	0.0008
Onchocerca volvulus		0.0366	0.956	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0471	0.0471
Schistosoma mansoni	brg-1 associated factor	0.0366	0.956	1
Schistosoma mansoni	RNA binding protein	0.013	0.3049	0.319
Entamoeba histolytica	NAD-dependent deacetylase 1, putative	0.002	0.0002	0.0049
Mycobacterium tuberculosis	Transcriptional regulatory protein	0.002	0.0002	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.002	0.0002	0.0002
Leishmania major	hypothetical protein, conserved	0.013	0.3049	1
Mycobacterium ulcerans	Sir2-like regulatory protein	0.002	0.0002	1
Giardia lamblia	Transcriptional regulator, Sir2 family	0.002	0.0002	0.0006
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.002	0.0002	0.0002
Brugia malayi	YY1-associated factor 2	0.013	0.3049	0.319
Leishmania major	silent information regulator 2, putative	0.002	0.0002	0.0008
Trypanosoma brucei	SIR2-like protein 4, putative	0.002	0.0002	0.0008
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0366	0.956	1
Echinococcus granulosus	SWI:SNF matrix associated	0.0366	0.956	0.956
Leishmania major	hypothetical protein, conserved	0.013	0.3049	1
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.002	0.0002	0.0008
Loa Loa (eye worm)	hypothetical protein	0.013	0.3049	0.319
Brugia malayi	transcriptional regulator, Sir2 family protein	0.002	0.0002	0.0002
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.013	0.3049	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0471	0.0493
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0747	0.0747
Schistosoma mansoni	chromatin regulatory protein sir2	0.002	0.0002	0.0002
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0747	0.0781
Echinococcus multilocularis	chromatin regulatory protein sir2	0.002	0.0002	0.0002
Entamoeba histolytica	hypothetical protein, conserved	0.002	0.0002	0.0049
Brugia malayi	brahma associated protein 60 kDa	0.0366	0.956	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.002	0.0002	0.0002
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0471	0.0493
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.013	0.3049	1
Trypanosoma cruzi	hypothetical protein, conserved	0.013	0.3049	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.002	0.0002	0.0002
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.013	0.3049	1
Chlamydia trachomatis	SWIB complex protein	0.0366	0.956	0.5
Leishmania major	NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe	0.002	0.0002	0.0008
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.013	0.3049	0.319
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0747	0.0747
Brugia malayi	SWIB/MDM2 domain containing protein	0.0366	0.956	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0366	0.956	1
Schistosoma mansoni	chromatin regulatory protein sir2	0.002	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0366	0.956	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0418	0.0437
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0151	0.3619	0.3786
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0366	0.956	0.956
Entamoeba histolytica	hypothetical protein	0.0037	0.0471	1
Trypanosoma cruzi	hypothetical protein, conserved	0.013	0.3049	1
Leishmania major	hypothetical protein, conserved	0.013	0.3049	1
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.013	0.3049	0.3188
Trypanosoma cruzi	hypothetical protein, conserved	0.013	0.3049	1
Loa Loa (eye worm)	hypothetical protein	0.0131	0.3072	0.3213
Trypanosoma brucei	hypothetical protein, conserved	0.013	0.3049	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0151	0.3619	0.3786
Loa Loa (eye worm)	hypothetical protein	0.013	0.3049	0.319
Mycobacterium ulcerans	NAD-dependent deacetylase	0.002	0.0002	1
Brugia malayi	hypothetical protein	0.0037	0.0471	0.0493
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 7	0.002	0.0002	0.0002
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0151	0.3619	0.3786
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0747	0.0781
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.013	0.3049	1
Loa Loa (eye worm)	transcriptional regulator	0.002	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0366	0.956	1
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.002	0.0002	0.0008
Echinococcus multilocularis	ring and YY1 binding protein	0.013	0.3049	0.3049
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.013	0.3049	0.319
Schistosoma mansoni	chromatin regulatory protein sir2	0.002	0.0002	0.0002
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.002	0.0002	0.0002
Brugia malayi	brahma associated protein 60 kDa	0.0366	0.956	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.013	0.3049	1
Toxoplasma gondii	ran binding protein	0.013	0.3049	0.3188
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0747	0.0781
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.002	0.0002	0.0002
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.002	0.0002	0.0002
Brugia malayi	transcriptional regulator, Sir2 family protein	0.002	0.0002	0.0002
Loa Loa (eye worm)	brahma associated protein	0.0366	0.956	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.013	0.3049	0.3049
Loa Loa (eye worm)	hypothetical protein	0.0151	0.3619	0.3786
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.013	0.3049	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0366	0.956	0.956
Leishmania major	hypothetical protein, conserved	0.013	0.3049	1
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.0151	0.3619	0.3619
Loa Loa (eye worm)	sirtuin 4	0.002	0.0002	0.0002
Entamoeba histolytica	hypothetical protein	0.0037	0.0471	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0747	0.0781
Trypanosoma cruzi	WLM domain containing protein, putative	0.013	0.3049	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0366	0.956	1
Loa Loa (eye worm)	transcriptional regulator	0.002	0.0002	0.0002
Schistosoma mansoni	TRABID protein (C64 family)	0.013	0.3049	0.319
Loa Loa (eye worm)	hypothetical protein	0.013	0.3049	0.319
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.002	0.0002	0.0049
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.002	0.0002	0.0008
Trypanosoma brucei	Silent information regulator 2 related protein 3	0.002	0.0002	0.0008
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0863	0.0903
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0863	0.0903
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.013	0.3049	0.3188
Trypanosoma brucei	hypothetical protein, conserved	0.013	0.3049	1
Leishmania major	hypothetical protein, conserved	0.013	0.3049	1
Giardia lamblia	NAD-dependent histone deacetylase Sir2	0.0151	0.3619	1
Trichomonas vaginalis	conserved hypothetical protein	0.0366	0.956	1
Loa Loa (eye worm)	transcriptional regulator	0.002	0.0002	0.0002
Echinococcus granulosus	NAD dependent deacetylase sirtuin 6	0.002	0.0002	0.0002
Schistosoma mansoni	chromatin regulatory protein sir2	0.0151	0.3619	0.3786
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.002	0.0002	0.0002
Echinococcus granulosus	ring and YY1 binding protein	0.013	0.3049	0.3049
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0366	0.956	1
Chlamydia trachomatis	DNA topoisomerase I	0.0366	0.956	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0366	0.956	0.956
Schistosoma mansoni	hypothetical protein	0.0035	0.0418	0.0437
Loa Loa (eye worm)	hypothetical protein	0.013	0.3049	0.319
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0471	0.0471
Schistosoma mansoni	zinc finger protein	0.013	0.3049	0.319
Schistosoma mansoni	chromatin regulatory protein sir2	0.002	0.0002	0.0002
Schistosoma mansoni	chromatin regulatory protein sir2	0.002	0.0002	0.0002
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0366	0.956	1
Echinococcus granulosus	NAD dependent deacetylase sirtuin 7	0.002	0.0002	0.0002
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0151	0.3619	0.3786
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0863	0.0903
Giardia lamblia	Hypothetical protein	0.002	0.0002	0.0006
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0747	0.0747
Brugia malayi	NAD-dependent deacetylase SIRT1	0.0151	0.3619	0.3786
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.0151	0.3619	0.3619
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.002	0.0002	0.0008
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.002	0.0002	0.0008
Entamoeba histolytica	hypothetical protein	0.0037	0.0471	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.013	0.3049	0.3049

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 16000 nM	BindingDB_Patents: Inhibition Assay. SIRT1 inhibition assay.	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: CHEMBL1962882

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 1612292