TDR Targets

Basic information

Technical information

TDR Targets ID: 836806
Name: N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methylph enyl)-2-oxo-1,4-diazaspiro[4.6]undec-3-en-1-y l]acetamide
MW: 453.961 | Formula: C25H28ClN3O3
H donors: 1 H acceptors: 2 LogP: 5.05 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1Cl)NC(=O)CN1C(=O)C(=NC21CCCCCC2)c1ccc(cc1)C
InChi: 1S/C25H28ClN3O3/c1-17-7-9-18(10-8-17)23-24(31)29(25(28-23)13-5-3-4-6-14-25)16-22(30)27-19-11-12-21(32-2)20(26)15-19/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,27,30)
InChiKey: FKJIMQZFIBLHFV-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

N-(3-chloro-4-methoxy-phenyl)-2-[3-(4-methylphenyl)-2-oxo-1,4-diazaspiro[4.6]undec-3-en-1-yl]acetamide
N-(3-chloro-4-methoxy-phenyl)-2-[2-keto-3-(4-methylphenyl)-1,4-diazaspiro[4.6]undec-3-en-1-yl]acetamide
N-(3-chloro-4-methoxy-phenyl)-2-[3-(4-methylphenyl)-2-oxo-1,4-diazaspiro[4.6]undec-3-en-1-yl]ethanamide
NCGC00114468-01
C924-1069

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0111	0.0352	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0748	0.2779	0.2779
Echinococcus multilocularis	potassium channel subfamily K	0.009	0.0271	0.0271
Plasmodium falciparum	potassium channel	0.009	0.0271	1
Schistosoma mansoni	voltage-gated potassium channel	0.0084	0.0246	0.0246
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.009	0.0271	0.7358
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.009	0.0271	0.5
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Toxoplasma gondii	ion channel protein	0.009	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.009	0.0271	0.7358
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Schistosoma mansoni	twik family of potassium channels-related	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Schistosoma mansoni	twik family of potassium channels-related	0.009	0.0271	0.0271
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.009	0.0271	0.0271
Loa Loa (eye worm)	thioredoxin reductase	0.0049	0.0114	0.0114
Schistosoma mansoni	twik family of potassium channels-related	0.009	0.0271	0.0271
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.009	0.0271	0.7358
Echinococcus multilocularis	potassium voltage gated channel protein	0.0084	0.0246	0.0246
Leishmania major	ion transport protein-like protein	0.009	0.0271	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0111	0.0352	0.8342
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Schistosoma mansoni	hypothetical protein	0.0041	0.0084	0.0084
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0157	0.0157
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0368	0.0368
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.009	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Mycobacterium ulcerans	transmembrane cation transporter	0.009	0.0271	0.5
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.009	0.0271	0.5
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.009	0.0271	0.0271
Schistosoma mansoni	voltage-gated potassium channel	0.0084	0.0246	0.0246
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0111	0.0352	0.8342
Onchocerca volvulus		0.009	0.0271	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.009	0.0271	0.0271
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.009	0.0271	0.7358
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0246	0.0246
Onchocerca volvulus		0.009	0.0271	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0111	0.0352	0.8342
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.009	0.0271	1
Echinococcus granulosus	twik family of potassium channels	0.009	0.0271	0.0271
Echinococcus multilocularis	calcium activated potassium channel variant	0.009	0.0271	0.0271
Trypanosoma cruzi	ion transport protein, putative	0.009	0.0271	1
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.009	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Leishmania major	hypothetical protein, conserved	0.009	0.0271	1
Leishmania major	hypothetical protein, conserved	0.009	0.0271	1
Mycobacterium tuberculosis	Probable reductase	0.0111	0.0352	0.8342
Echinococcus multilocularis	potassium channel subfamily K 8	0.009	0.0271	0.0271
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.009	0.0271	0.7358
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0838	0.3123	0.3123
Loa Loa (eye worm)	hypothetical protein	0.006	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.009	0.0271	0.7358
Echinococcus granulosus	twik family of potassium channels	0.009	0.0271	0.0271
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0124	0.04	1
Schistosoma mansoni	calcium-activated potassium channel	0.009	0.0271	0.0271
Echinococcus granulosus	potassium channel subfamily K	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.009	0.0271	0.0271
Echinococcus granulosus	thioredoxin glutathione reductase	0.0049	0.0114	0.0114
Schistosoma mansoni	hypothetical protein	0.2641	1	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.2641	1	1
Loa Loa (eye worm)	hypothetical protein	0.0927	0.3461	0.3461
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Echinococcus granulosus	potassium channel subfamily K 8	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Plasmodium falciparum	potassium channel	0.009	0.0271	1
Trypanosoma cruzi	hypothetical protein, conserved	0.009	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0084	0.0246	0.0246
Giardia lamblia	Hypothetical protein	0.009	0.0271	0.5
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.009	0.0271	1
Plasmodium vivax	potassium channel, putative	0.009	0.0271	1
Onchocerca volvulus		0.009	0.0271	0.5
Leishmania major	potassium channel subunit-like protein	0.009	0.0271	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.009	0.0271	0.7358
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.009	0.0271	0.7358
Echinococcus granulosus	potassium voltage gated channel protein	0.0084	0.0246	0.0246
Schistosoma mansoni	hypothetical protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0084	0.0084
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.009	0.0271	0.7358
Onchocerca volvulus		0.009	0.0271	0.5
Onchocerca volvulus		0.009	0.0271	0.5
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.009	0.0271	0.0271
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.009	0.0271	0.0271
Loa Loa (eye worm)	TWK-7 protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0124	0.04	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0157	0.4261
Echinococcus granulosus	calcium activated potassium channel variant	0.009	0.0271	0.0271
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.009	0.0271	0.7358
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.009	0.0271	0.7358
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.009	0.0271	0.0271
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.008	0.0232	0.0232
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0084	0.2289
Onchocerca volvulus		0.009	0.0271	0.5
Loa Loa (eye worm)	glutathione reductase	0.0049	0.0114	0.0114
Brugia malayi	Thioredoxin reductase	0.0049	0.0114	0.3087
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.009	0.0271	0.7358
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Brugia malayi	hypothetical protein	0.009	0.0271	0.7358
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Schistosoma mansoni	calcium-activated potassium channel	0.1674	0.6313	0.6313
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.009	0.0271	0.7358
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.009	0.0271	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.009	0.0271	0.5
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Schistosoma mansoni	calcium-activated potassium channel	0.2641	1	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0124	0.04	1
Schistosoma mansoni	twik family of potassium channels-related	0.009	0.0271	0.0271
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.009	0.0271	0.5498
Leishmania major	calcium/potassium channel (CAKC), putative	0.009	0.0271	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0111	0.0352	0.8342
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0157	0.4261
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.009	0.0271	1
Echinococcus multilocularis	potassium channel subfamily K 8	0.009	0.0271	0.0271
Echinococcus multilocularis	twik family of potassium channels	0.009	0.0271	0.0271
Plasmodium vivax	potassium channel, putative	0.009	0.0271	1
Brugia malayi	MH2 domain containing protein	0.0116	0.0368	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.009	0.0271	0.7358
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Schistosoma mansoni	twik family of potassium channels-related	0.009	0.0271	0.0271
Echinococcus granulosus	potassium channel subfamily K 8	0.009	0.0271	0.0271
Schistosoma mansoni	twik family of potassium channels-related	0.009	0.0271	0.0271
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.009	0.0271	0.7358
Trypanosoma cruzi	hypothetical protein, conserved	0.009	0.0271	1
Onchocerca volvulus		0.009	0.0271	0.5
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0049	0.0114	0.0114
Loa Loa (eye worm)	uncoordinated protein 58	0.009	0.0271	0.0271
Trypanosoma brucei	calcium-activated potassium channel, putative	0.009	0.0271	1
Brugia malayi	glutathione reductase	0.0049	0.0114	0.3087
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Echinococcus multilocularis	twik family of potassium channels	0.009	0.0271	0.0271
Mycobacterium tuberculosis	Probable oxidoreductase	0.0124	0.04	1
Schistosoma mansoni	twik family of potassium channels-related	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Trypanosoma cruzi	ion transport protein, putative	0.009	0.0271	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.009	0.0271	0.5
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Brugia malayi	hypothetical protein	0.009	0.0271	0.7358
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Echinococcus multilocularis	small conductance calcium activated potassium	0.2641	1	1
Schistosoma mansoni	calcium-activated potassium channel	0.009	0.0271	0.0271
Loa Loa (eye worm)	TWK-28 protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0877	0.327	0.327
Onchocerca volvulus		0.009	0.0271	0.5
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Mycobacterium ulcerans	ion transport protein	0.009	0.0271	0.5
Toxoplasma gondii	ion channel protein	0.009	0.0271	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.009	0.0271	0.7358
Loa Loa (eye worm)	hypothetical protein	0.009	0.0271	0.0271
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.009	0.0271	0.7358
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0368	0.0368
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.009	0.0271	0.5
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0084	0.0246	0.6688

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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: CHEMBL1396569
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 836806