TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 456.558 | Formula: C23H28N4O4S
H donors: 0 H acceptors: 4 LogP: 1.39 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1
InChi: 1S/C23H28N4O4S/c1-19(28)24-10-12-26(13-11-24)23(29)20-6-5-9-22(18-20)32(30,31)27-16-14-25(15-17-27)21-7-3-2-4-8-21/h2-9,18H,10-17H2,1H3
InChiKey: FNJVXTQXFQOORP-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Brugia malayi	von Willebrand factor type A domain containing protein	0.0019	0.0011	0.0011
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.4046	0.4046
Trichomonas vaginalis	WD repeat domain, putative	0.0213	1	1
Brugia malayi	Muscle positioning protein 4	0.0031	0.0618	0.0618
Schistosoma mansoni	hypothetical protein	0.0019	0.0011	0.0011
Echinococcus granulosus	protein will die slowly	0.0213	1	1
Loa Loa (eye worm)	CUTiclin-Like family member	0.0019	0.0011	0.0011
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1874	0.1865
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Brugia malayi	von Willebrand factor type A domain containing protein	0.0019	0.0011	0.0011
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0019	0.0015	0.0015
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0079	0.308	0.3072
Brugia malayi	Trypsin family protein	0.0019	0.0015	0.0015
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0029	0.05	0.05
Brugia malayi	pregnancy-associated plasma protein-A	0.0033	0.0719	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0719	0.0719
Echinococcus multilocularis	protein will die slowly	0.0213	1	1
Brugia malayi	von Willebrand factor type A domain containing protein	0.0019	0.0011	0.0011
Schistosoma mansoni	hypothetical protein	0.0213	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0719	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0986	0.0986
Onchocerca volvulus		0.0033	0.0719	0.0709
Brugia malayi	hypothetical protein	0.0033	0.0719	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Schistosoma mansoni	c4b-binding protein beta chain	0.0033	0.0719	0.0719
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Brugia malayi	hypothetical protein	0.0019	0.0015	0.0015
Onchocerca volvulus		0.0033	0.0719	0.0709
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Loa Loa (eye worm)	von Willebrand factor domain-containing protein	0.0019	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Onchocerca volvulus		0.005	0.1596	0.1587
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1874	0.1874
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0019	0.0015	0.0015
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0019	0.0015	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0719	0.0719
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0079	0.308	0.3072
Loa Loa (eye worm)	CUTiclin family member	0.0019	0.0011	0.0011
Onchocerca volvulus		0.0033	0.0719	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0719	0.0719
Brugia malayi	von Willebrand Factor	0.0019	0.0011	0.0011
Entamoeba histolytica	hypothetical protein, conserved	0.0019	0.0011	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0019	0.0011	0.0011
Treponema pallidum	hypothetical protein	0.0019	0.0011	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0019	0.0015	0.0015
Loa Loa (eye worm)	WD40 repeat protein	0.0213	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0027	0.0447	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0618	0.0618
Echinococcus multilocularis	C type lectin domian containing protein	0.0033	0.0719	0.0709
Echinococcus granulosus	transmembrane protease serine 3	0.0019	0.0015	0.0004
Loa Loa (eye worm)	DOMON domain-containing protein	0.0026	0.0351	0.0351
Onchocerca volvulus		0.0033	0.0719	0.0709
Brugia malayi	GCC2 and GCC3 family protein	0.0038	0.0986	0.0986
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0351	0.0351
Brugia malayi	hypothetical protein	0.0033	0.0719	0.0719
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1874	0.1865
Loa Loa (eye worm)	von Willebrand factor type A domain-containing protein	0.0019	0.0011	0.0011
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0027	0.0447	0.0447
Toxoplasma gondii	rhoptry neck protein RON1	0.0033	0.0719	1
Onchocerca volvulus		0.0026	0.0351	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1205	0.1205
Plasmodium falciparum	apical sushi protein	0.0033	0.0719	1
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0042	0.1203	0.1203
Echinococcus granulosus	glycoprotein Antigen 5	0.0019	0.0015	0.0004
Brugia malayi	hypothetical protein	0.0033	0.0719	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Onchocerca volvulus		0.0213	1	1
Brugia malayi	Trypsin family protein	0.0019	0.0015	0.0015
Echinococcus granulosus	c4b binding protein beta chain	0.0033	0.0719	0.0709
Brugia malayi	Zona pellucida-like domain containing protein	0.0019	0.0011	0.0011
Brugia malayi	Zona pellucida-like domain containing protein	0.0019	0.0011	0.0011
Brugia malayi	hypothetical protein	0.0019	0.0011	0.0011
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0024	0.0278	0.0278
Onchocerca volvulus		0.0033	0.0719	0.0709
Schistosoma mansoni	hypothetical protein	0.0019	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0278	0.0278
Onchocerca volvulus		0.0026	0.0351	0.0341
Loa Loa (eye worm)	trypsin family protein	0.0019	0.0015	0.0015
Schistosoma mansoni	hypothetical protein	0.0019	0.0015	0.0015
Toxoplasma gondii	rhoptry neck protein RON9	0.0033	0.0719	1
Brugia malayi	Trypsin family protein	0.0019	0.0015	0.0015
Onchocerca volvulus		0.0019	0.0015	0.0004
Brugia malayi	SEA domain containing protein	0.0026	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0719	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Brugia malayi	von Willebrand factor type A domain containing protein	0.0019	0.0011	0.0011
Echinococcus granulosus	C type lectin domian containing protein	0.0033	0.0719	0.0709
Onchocerca volvulus		0.0033	0.0719	0.0709
Echinococcus multilocularis	glycoprotein Antigen 5	0.0019	0.0015	0.0004
Treponema pallidum	76K protein	0.0019	0.0011	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1874	0.1865
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0719	0.0719
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0024	0.026	0.026
Onchocerca volvulus		0.0019	0.0015	0.0004
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0019	0.0015	0.0015
Onchocerca volvulus		0.0026	0.0351	0.0341
Echinococcus granulosus	Mastin	0.0019	0.0015	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Schistosoma mansoni	hypothetical protein	0.0026	0.0351	0.0351
Brugia malayi	hypothetical protein	0.0033	0.0719	0.0719
Brugia malayi	von Willebrand factor type A domain containing protein	0.0019	0.0011	0.0011
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0019	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Onchocerca volvulus		0.0033	0.0719	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1874	0.1874
Echinococcus multilocularis	enteropeptidase	0.0019	0.0015	0.0004
Onchocerca volvulus		0.0019	0.0015	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0097	0.4046	0.4046
Brugia malayi	hypothetical protein	0.0033	0.0719	0.0719
Onchocerca volvulus		0.0026	0.0351	0.0341
Brugia malayi	hypothetical protein	0.0033	0.0719	0.0719
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Onchocerca volvulus		0.0033	0.0719	0.0709
Brugia malayi	von Willebrand factor type A domain containing protein	0.0019	0.0011	0.0011
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0019	0.0015	0.0004
Onchocerca volvulus		0.0019	0.0015	0.0004
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0019	0.0015	0.0004
Brugia malayi	Trypsin-like protease protein 5	0.0019	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Onchocerca volvulus		0.0033	0.0719	0.0709
Schistosoma mansoni	hypothetical protein	0.0019	0.0015	0.0015
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1874	0.1874
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0019	0.0015	0.0015
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1874	0.1874
Brugia malayi	Trypsin family protein	0.0019	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Brugia malayi	von Willebrand factor type A domain containing protein	0.0019	0.0011	0.0011
Entamoeba histolytica	hypothetical protein, conserved	0.0019	0.0011	0.5
Brugia malayi	Sushi domain	0.0033	0.0719	0.0719
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0019	0.0015	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0719	0.0719
Mycobacterium ulcerans	hypothetical protein	0.0019	0.0015	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Entamoeba histolytica	hypothetical protein	0.0019	0.0011	0.5
Plasmodium vivax	apical sushi protein, putative	0.0033	0.0719	1
Onchocerca volvulus		0.0019	0.0015	0.0004
Echinococcus granulosus	enteropeptidase	0.0019	0.0015	0.0004
Onchocerca volvulus		0.0019	0.0015	0.0004
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0019	0.0015	0.0015
Brugia malayi	hypothetical protein	0.0033	0.0719	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0278	0.0278
Schistosoma mansoni	cercarial elastase (S01 family)	0.0019	0.0015	0.0015
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1874	0.1865
Onchocerca volvulus		0.0033	0.0719	0.0709
Echinococcus multilocularis	Mastin	0.0019	0.0015	0.0004
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0019	0.0011	0.5
Loa Loa (eye worm)	pregnancy-associated plasma protein-E	0.0033	0.0719	0.0719
Brugia malayi	von Willebrand factor type A domain containing protein	0.0019	0.0011	0.0011
Echinococcus multilocularis	c4b binding protein beta chain	0.0033	0.0719	0.0709
Echinococcus multilocularis	transmembrane protease serine 3	0.0019	0.0015	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0011	0.0011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1874	0.1874
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0019	0.0015	0.0015

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.8913 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1512022

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 1378089