TDR Targets

Basic information

Technical information

TDR Targets ID: 1067205
Name: T5581869
MW: 374.409 | Formula: C19H23FN4O3
H donors: 1 H acceptors: 3 LogP: 1.33 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCN(CC1)c1ccccc1F)CN1C(=O)NC(C1=O)(C)C1CC1
InChi: 1S/C19H23FN4O3/c1-19(13-6-7-13)17(26)24(18(27)21-19)12-16(25)23-10-8-22(9-11-23)15-5-3-2-4-14(15)20/h2-5,13H,6-12H2,1H3,(H,21,27)
InChiKey: ICXRSZYSPWAJBJ-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	SMAD family member 2	Starlite/ChEMBL	No references
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
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, 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
Echinococcus granulosus	guanine nucleotide binding protein Gs 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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
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
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	guanine nucleotide binding protein Gs 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 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0456	0.1727
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2028	0.7677
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.0162	0.0615
Toxoplasma gondii	hypothetical protein	0.0006	0	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0456	0.1727
Schistosoma mansoni	smad1 5 8 and	0.001	0.0162	0.0615
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0456	0.0299
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.0162	0.0615
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2028	0.7677
Schistosoma mansoni	hypothetical protein	0.0037	0.1266	0.479
Loa Loa (eye worm)	mucolipin 1	0.007	0.2642	0.2521
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.2028	0.7677
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1266	0.1121
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.0162	0.0615
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0456	0.1727
Schistosoma mansoni	mucolipin	0.0064	0.2401	0.9087
Echinococcus multilocularis	Smad4	0.001	0.0162	0.0615
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.2028	0.7677
Trypanosoma cruzi	hypothetical protein, conserved	0.0006	0	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.1963	0.183
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0456	0.0299
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0456	0.1727
Schistosoma mansoni	smad1 5 8 and	0.001	0.0162	0.0615
Toxoplasma gondii	hypothetical protein	0.0006	0	0.5
Trypanosoma cruzi	Polycystin cation channel, putative	0.0006	0	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0456	0.1727
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0249	1	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0456	0.1727
Schistosoma mansoni	hypothetical protein	0.0017	0.0456	0.1727
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.5682	0.5611
Echinococcus granulosus	Smad4	0.001	0.0162	0.0615
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0456	0.1727
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.1266	0.1121
Echinococcus multilocularis	smad	0.001	0.0162	0.0615
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.1963	0.183
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.1963	0.183
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0456	0.0299
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.0162	0.0615
Schistosoma mansoni	mucolipin	0.007	0.2642	1
Echinococcus granulosus	smad	0.001	0.0162	0.0615
Schistosoma mansoni	hypothetical protein	0.0017	0.0456	0.1727
Schistosoma mansoni	smad1 5 8 and	0.001	0.0162	0.0615
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.2028	0.7677
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1963	0.183
Schistosoma mansoni	Smad4	0.001	0.0162	0.0615
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0456	0.0299
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.2028	0.1897
Schistosoma mansoni	smad	0.001	0.0162	0.0615
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.2028	0.7677
Echinococcus granulosus	mucolipin 3	0.007	0.2642	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.2028	0.1897
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2028	0.7677
Trypanosoma brucei	Polycystin cation channel, putative	0.0006	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0006	0	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.0162	0.0615
Echinococcus granulosus	GPCR family 2	0.0017	0.0456	0.1727
Trypanosoma cruzi	Polycystin cation channel, putative	0.0006	0	0.5
Echinococcus multilocularis	mucolipin 3	0.007	0.2642	1
Brugia malayi	MH2 domain containing protein	0.0144	0.5682	0.5611
Leishmania major	hypothetical protein, conserved	0.0006	0	0.5
Brugia malayi	Coelomocyte uptake defective protein 5	0.007	0.2642	0.2521
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.5682	0.5611

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 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)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	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: CHEMBL1866974

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 1067205