TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 248.321 | Formula: C14H20N2O2
H donors: 0 H acceptors: 1 LogP: 1.14 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(C(=O)CC1)CCOc1ccccc1
InChi: 1S/C14H20N2O2/c1-15-8-7-14(17)16(10-9-15)11-12-18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChiKey: TUPPNIMOISKEBD-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	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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
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)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Echinococcus granulosus	guanine nucleotide binding protein Gs 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
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
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
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
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
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0	0.5
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0096	0.0764	0.0764
Schistosoma mansoni	axis inhibition protein axin	0.0096	0.0764	0.0775
Loa Loa (eye worm)	RGS-3 protein	0.0096	0.0764	0.0775
Brugia malayi	A-kinase anchor protein 10, precursor	0.0096	0.0764	0.0775
Schistosoma mansoni	serine/threonine protein kinase	0.0099	0.0788	0.08
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0334	0.0377
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0096	0.0764	1
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0096	0.0764	0.0764
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0	0.5
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0099	0.0788	0.0891
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0764	0.0775
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0	0.5
Echinococcus multilocularis	regulator of G protein signaling 3	0.0096	0.0764	0.0764
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0764	1
Trypanosoma brucei	unspecified product	0.0023	0	0.5
Brugia malayi	hypothetical protein	0.0096	0.0764	0.0775
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0764	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0096	0.0764	0.0863
Schistosoma mansoni	regulator of G protein signaling	0.0096	0.0764	0.0775
Echinococcus granulosus	axis inhibition protein axin	0.0096	0.0764	0.0863
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0764	0.0775
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0096	0.0764	0.0775
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0	0.5
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.0869	0.885	0.8978
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0764	0.0775
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0334	0.0377
Giardia lamblia	DINP protein human, muc B family	0.0023	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0334	0.0334
Leishmania major	DNA polymerase eta, putative	0.0023	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0764	1
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0966	0.9858	1
Entamoeba histolytica	hypothetical protein	0.0096	0.0764	1
Schistosoma mansoni	regulator of G protein signaling	0.0096	0.0764	0.0775
Schistosoma mansoni	regulator of G protein signaling	0.0096	0.0764	0.0775
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0099	0.0788	0.0788
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0764	0.0775
Loa Loa (eye worm)	PXA domain-containing protein	0.0096	0.0764	0.0775
Echinococcus granulosus	axis inhibition protein axin	0.0096	0.0764	0.0863
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0334	0.0334
Echinococcus multilocularis	axis inhibition protein axin	0.0096	0.0764	0.0764
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0096	0.0764	0.0863
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0764	1
Brugia malayi	regulator of G-protein signaling egl-10	0.0096	0.0764	0.0775
Echinococcus granulosus	expressed protein	0.0096	0.0764	0.0863
Echinococcus multilocularis	axis inhibition protein axin	0.0096	0.0764	0.0764
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0096	0.0764	0.0775
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0096	0.0764	0.0863
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0764	0.0775
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0764	0.0775
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0	0.5
Brugia malayi	regulator of G-protein signaling rgs-7	0.0096	0.0764	0.0775
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0096	0.0764	0.0775
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0	0.5
Echinococcus granulosus	Regulator of G protein signaling 20	0.0096	0.0764	0.0863
Brugia malayi	PXA domain containing protein	0.0096	0.0764	0.0775
Echinococcus multilocularis	regulator of G protein signaling 7	0.0096	0.0764	0.0764
Schistosoma mansoni	regulator of G protein signaling	0.0096	0.0764	0.0775
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0096	0.0764	0.0775
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0764	1
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0764	1
Leishmania major	DNA polymerase kappa, putative	0.0023	0	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0	0.5
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0869	0.885	0.8978
Schistosoma mansoni	axis inhibition protein axin	0.0096	0.0764	0.0775
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0334	0.0339
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0	0.5
Echinococcus granulosus	regulator of G protein signaling 3	0.0096	0.0764	0.0863
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0334	0.0339
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0869	0.885	0.8978
Schistosoma mansoni	regulator of G protein signaling	0.0096	0.0764	0.0775
Schistosoma mansoni	serine/threonine protein kinase	0.0966	0.9858	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0	0.5
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.0869	0.885	0.885
Echinococcus multilocularis	regulator of G protein signaling 3	0.0096	0.0764	0.0764
Echinococcus multilocularis	regulator of G protein signaling 7	0.0096	0.0764	0.0764
Entamoeba histolytica	hypothetical protein	0.0096	0.0764	1
Schistosoma mansoni	serine/threonine protein kinase	0.0099	0.0788	0.08
Echinococcus multilocularis	regulator of G protein signaling	0.0096	0.0764	0.0764
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0099	0.0788	0.08
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0334	0.0339
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0966	0.9858	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0334	0.0339
Echinococcus granulosus	regulator of G protein signaling 3	0.0096	0.0764	0.0863
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0334	0.0339
Brugia malayi	PXA domain containing protein	0.0096	0.0764	0.0775
Echinococcus multilocularis	expressed protein	0.0096	0.0764	0.0764
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0096	0.0764	0.0775
Brugia malayi	hypothetical protein	0.0096	0.0764	0.0775
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0	0.5
Schistosoma mansoni	z-protein (S1r protein)	0.0096	0.0764	0.0775
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0	0.5
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0096	0.0764	0.0775
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.0869	0.885	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0	0.5
Entamoeba histolytica	hypothetical protein	0.0096	0.0764	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	18.906 uM	PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399]	ChEMBL.	No reference
Potency (functional)	0.631 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	1.299 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	2.0787 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	6.3096 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)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL1473772

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 1359465