TDR Targets

Basic information

Technical information

TDR Targets ID: 1292987
Name: 2,6-dichloro-N-(2-morpholin-4-ylethyl)pyridin e-3-carboxamide
MW: 304.172 | Formula: C12H15Cl2N3O2
H donors: 1 H acceptors: 2 LogP: 1.72 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(nc1Cl)Cl)NCCN1CCOCC1
InChi: 1S/C12H15Cl2N3O2/c13-10-2-1-9(11(14)16-10)12(18)15-3-4-17-5-7-19-8-6-17/h1-2H,3-8H2,(H,15,18)
InChiKey: GAWHIPYXIWUVLE-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

2,6-dichloro-N-(2-morpholinoethyl)pyridine-3-carboxamide
2,6-dichloro-N-(2-morpholinoethyl)-3-pyridinecarboxamide
2,6-dichloro-N-(2-morpholinoethyl)nicotinamide
MLS000696395
SMR000337581
MS-3226

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) 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
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
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 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

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
Schistosoma mansoni	Smad4	0.0063	0.0092	0.0136
Brugia malayi	RNA recognition motif domain containing protein	0.0695	0.3139	0.3139
Schistosoma mansoni	hypothetical protein	0.0671	0.3021	0.4463
Loa Loa (eye worm)	glutaminase	0.0539	0.2385	0.2342
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0508	0.0454
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0157	0.0548	0.1745
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0164	0.0107
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0157	0.0548	1
Echinococcus multilocularis	GPCR, family 2	0.0671	0.3021	0.9624
Schistosoma mansoni	Smad4	0.0063	0.0092	0.0136
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0671	0.3021	0.9624
Loa Loa (eye worm)	hypothetical protein	0.1449	0.677	0.6751
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0067	0.0113	0.0359
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0157	0.0548	0.1745
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0057	0.0057
Toxoplasma gondii	isocitrate dehydrogenase	0.0157	0.0548	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.2055	0.9688	0.9687
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0057	0.0084
Schistosoma mansoni	tar DNA-binding protein	0.0695	0.3139	0.4637
Loa Loa (eye worm)	nuclear factor I	0.0077	0.0164	0.0107
Echinococcus granulosus	TGF beta signal transducer SmadC	0.014	0.0465	0.1482
Brugia malayi	Smad1	0.014	0.0465	0.0465
Trichomonas vaginalis	glutaminase, putative	0.0539	0.2385	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0157	0.0548	0.1745
Loa Loa (eye worm)	TAR-binding protein	0.0695	0.3139	0.31
Brugia malayi	hypothetical protein	0.0149	0.0508	0.0508
Echinococcus multilocularis	isocitrate dehydrogenase	0.0157	0.0548	0.1745
Brugia malayi	MH1 domain containing protein	0.014	0.0465	0.0465
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0063	0.0092	0.0294
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0157	0.0548	0.1745
Loa Loa (eye worm)	MH2 domain-containing protein	0.0063	0.0092	0.0036
Schistosoma mansoni	Smad4	0.014	0.0465	0.0687
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0157	0.0548	0.0809
Brugia malayi	MH2 domain containing protein	0.014	0.0465	0.0465
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.014	0.0465	0.1482
Schistosoma mansoni	tar DNA-binding protein	0.0695	0.3139	0.4637
Echinococcus multilocularis	smad	0.014	0.0465	0.1482
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0157	0.0548	1
Schistosoma mansoni	hypothetical protein	0.0671	0.3021	0.4463
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0671	0.3021	0.9624
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.014	0.0465	0.0687
Brugia malayi	mothers against decapentaplegic homolog 3	0.0063	0.0092	0.0092
Schistosoma mansoni	tar DNA-binding protein	0.0695	0.3139	0.4637
Echinococcus granulosus	mothers against decapentaplegic 2	0.0063	0.0092	0.0294
Loa Loa (eye worm)	MH2 domain-containing protein	0.014	0.0465	0.0411
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0063	0.0092	0.0294
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0157	0.0548	0.5
Schistosoma mansoni	smad1 5 8 and	0.014	0.0465	0.0687
Loa Loa (eye worm)	glutaminase 2	0.0539	0.2385	0.2342
Echinococcus multilocularis	Smad4	0.014	0.0465	0.1482
Loa Loa (eye worm)	hypothetical protein	0.0741	0.336	0.3323
Schistosoma mansoni	tar DNA-binding protein	0.0695	0.3139	0.4637
Brugia malayi	Isocitrate dehydrogenase	0.0157	0.0548	0.0548
Brugia malayi	hypothetical protein	0.0096	0.0254	0.0254
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0057	0.0181
Schistosoma mansoni	tar DNA-binding protein	0.0695	0.3139	0.4637
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0695	0.3139	0.31
Schistosoma mansoni	hypothetical protein	0.0671	0.3021	0.4463
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0671	0.3021	0.2981
Loa Loa (eye worm)	transcription factor SMAD2	0.2055	0.9688	0.9687
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0157	0.0548	1
Schistosoma mansoni	eyes absent homolog	0.0173	0.0622	0.0919
Schistosoma mansoni	glutaminase	0.0539	0.2385	0.3523
Onchocerca volvulus		0.0741	0.336	1
Echinococcus granulosus	smad	0.014	0.0465	0.1482
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0157	0.0548	0.1745
Brugia malayi	TAR-binding protein	0.0695	0.3139	0.3139
Brugia malayi	hypothetical protein	0.0173	0.0622	0.0622
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0057	0.0084
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0057	0.0084
Loa Loa (eye worm)	Smad1	0.014	0.0465	0.0411
Schistosoma mansoni	hypothetical protein	0.0067	0.0113	0.0166
Brugia malayi	N-terminal motif family protein	0.0365	0.1548	0.1548
Brugia malayi	isocitrate dehydrogenase	0.0157	0.0548	0.0548
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0365	0.1548	0.4454
Brugia malayi	MH1 domain containing protein	0.014	0.0465	0.0465
Schistosoma mansoni	smad1 5 8 and	0.014	0.0465	0.0687
Schistosoma mansoni	hypothetical protein	0.0671	0.3021	0.4463
Brugia malayi	hypothetical protein	0.0741	0.336	0.336
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0157	0.0548	1
Brugia malayi	MH1 domain containing protein	0.0077	0.0164	0.0164
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0157	0.0548	1
Brugia malayi	MH2 domain containing protein	0.0063	0.0092	0.0092
Loa Loa (eye worm)	MH1 domain-containing protein	0.014	0.0465	0.0411
Echinococcus granulosus	GPCR family 2	0.0671	0.3021	0.9624
Echinococcus multilocularis	tar DNA binding protein	0.0695	0.3139	1
Brugia malayi	MH2 domain containing protein	0.014	0.0465	0.0465
Brugia malayi	RNA binding protein	0.0695	0.3139	0.3139
Loa Loa (eye worm)	hypothetical protein	0.0671	0.3021	0.2981
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0157	0.0548	1
Echinococcus granulosus	mothers against decapentaplegic 6	0.0063	0.0092	0.0294
Schistosoma mansoni	smad	0.014	0.0465	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0365	0.1548	0.15
Echinococcus granulosus	tar DNA binding protein	0.0695	0.3139	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0067	0.0113	0.0359
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0157	0.0548	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0173	0.0622	0.0569
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0671	0.3021	0.9624
Toxoplasma gondii	isocitrate dehydrogenase	0.0157	0.0548	1
Mycobacterium ulcerans	glutaminase	0.0539	0.2385	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.1449	0.677	0.677
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0057	0.0181
Schistosoma mansoni	smad	0.0063	0.0092	0.0136
Brugia malayi	MH2 domain containing protein	0.2055	0.9688	0.9688
Loa Loa (eye worm)	RNA binding protein	0.0695	0.3139	0.31
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0671	0.3021	0.9624
Echinococcus multilocularis	mothers against decapentaplegic 5	0.014	0.0465	0.1482
Brugia malayi	Latrophilin receptor protein 2	0.0671	0.3021	0.3021
Brugia malayi	glutaminase DH11.1	0.0539	0.2385	0.2385
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0157	0.0548	1
Schistosoma mansoni	hypothetical protein	0.1449	0.677	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0057	0.0181
Echinococcus granulosus	mothers against decapentaplegic 5	0.014	0.0465	0.1482
Schistosoma mansoni	smad1 5 8 and	0.014	0.0465	0.0687
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0671	0.3021	0.3021
Loa Loa (eye worm)	hypothetical protein	0.0173	0.0622	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0092	0.0036
Echinococcus granulosus	Smad4	0.014	0.0465	0.1482
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0057	0.0181
Brugia malayi	MH1 domain containing protein	0.0077	0.0164	0.0164
Loa Loa (eye worm)	MH1 domain-containing protein	0.0063	0.0092	0.0036

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1636 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No 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)	25.1189 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	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: CHEMBL1404552

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1292987