TDR Targets

Basic information

Technical information

TDR Targets ID: 353395
Name: 6-methyl-3-[4-(pyridin-2-ylmethoxy)phenyl]sul fonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amin e
MW: 473.587 | Formula: C27H27N3O3S
H donors: 1 H acceptors: 4 LogP: 6 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(C)c(c(c1)C)Nc1nc(C)ccc1S(=O)(=O)c1ccc(cc1)OCc1ccccn1
InChi: 1S/C27H27N3O3S/c1-18-15-19(2)26(20(3)16-18)30-27-25(13-8-21(4)29-27)34(31,32)24-11-9-23(10-12-24)33-17-22-7-5-6-14-28-22/h5-16H,17H2,1-4H3,(H,29,30)
InChiKey: HDMUZQGOINBLJC-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

6-methyl-3-[4-(2-pyridylmethoxy)phenyl]sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine
6-methyl-3-[4-(2-pyridylmethoxy)phenyl]sulfonyl-N-(2,4,6-trimethylphenyl)-2-pyridinamine
mesityl-[6-methyl-3-[4-(2-pyridylmethoxy)phenyl]sulfonyl-2-pyridyl]amine
[6-methyl-3-[4-(2-pyridylmethoxy)phenyl]sulfonyl-2-pyridyl]-(2,4,6-trimethylphenyl)amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Corticotropin releasing factor receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	Get druggable targets OG5_130760	All targets in OG5_130760
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	Get druggable targets OG5_130760	All targets in OG5_130760
Schistosoma japonicum	IPR001879,Hormone receptor, extracellular,domain-containing	Get druggable targets OG5_130760	All targets in OG5_130760
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130760	All targets in OG5_130760
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	Get druggable targets OG5_130760	All targets in OG5_130760

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Pseudouridine-5 prime-monophosphatase homolog	Corticotropin releasing factor receptor 1	415 aa	401 aa	27.2 %
Onchocerca volvulus		Corticotropin releasing factor receptor 1	415 aa	401 aa	30.2 %
Loa Loa (eye worm)	hypothetical protein	Corticotropin releasing factor receptor 1	415 aa	359 aa	21.4 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	Corticotropin releasing factor receptor 1	415 aa	394 aa	27.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0119	0.0289
Onchocerca volvulus	Huntingtin homolog	0.0126	0.1238	0.4476
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0245	0.0596
Loa Loa (eye worm)	MH2 domain-containing protein	0.0359	0.4107	1
Echinococcus granulosus	expressed conserved protein	0.0095	0.0859	0.1363
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0345	0.0839
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0103	0.0954	0.1503
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0245	0.0323
Toxoplasma gondii	isocitrate dehydrogenase	0.0048	0.0275	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0048	0.0275	0.021
Schistosoma mansoni	transcription factor LCR-F1	0.0108	0.1022	0.1619
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0458	0.1115
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0245	0.0596
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0275	0.0669
Brugia malayi	MH2 domain containing protein	0.0359	0.4107	1
Schistosoma mansoni	hypothetical protein	0.051	0.5959	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0101	0.0934	0.2275
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0048	0.0275	1
Plasmodium vivax	SET domain protein, putative	0.0031	0.0068	0.2469
Brugia malayi	hypothetical protein	0.0108	0.1022	0.2488
Schistosoma mansoni	hypothetical protein	0.0108	0.1022	0.1619
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0245	0.0323
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0048	0.0275	0.0375
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0225	0.0159
Brugia malayi	RNA binding protein	0.0062	0.0458	0.1115
Schistosoma mansoni	hypothetical protein	0.0075	0.0615	0.0928
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0225	0.0547
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0119	0.0051
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0048	0.0275	1
Echinococcus multilocularis	protein patched	0.0043	0.0225	0.0159
Echinococcus granulosus	GPCR family 2	0.0035	0.0119	0.0109
Brugia malayi	Isocitrate dehydrogenase	0.0048	0.0275	0.0671
Brugia malayi	TAR-binding protein	0.0062	0.0458	0.1115
Echinococcus granulosus	Niemann Pick C1 protein	0.0101	0.0934	0.1491
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0458	0.0684
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0295	0.3319	0.8081
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0245	0.03
Trichomonas vaginalis	set domain proteins, putative	0.0243	0.2683	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0048	0.0275	0.021
Schistosoma mansoni	hypothetical protein	0.0047	0.0275	0.0351
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0458	0.0395
Brugia malayi	hypothetical protein	0.0233	0.2553	0.6217
Echinococcus multilocularis	geminin	0.051	0.5959	0.5972
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0458	0.0662
Mycobacterium ulcerans	proteasome PrcA	0.0838	1	0.5
Onchocerca volvulus		0.0047	0.0275	0.0791
Echinococcus multilocularis	expressed conserved protein	0.0095	0.0859	0.0802
Schistosoma mansoni	patched 1	0.0043	0.0225	0.0266
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.022	0.2396	0.3965
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0119	0.0289
Toxoplasma gondii	isocitrate dehydrogenase	0.0048	0.0275	1
Echinococcus multilocularis	X box binding protein 1	0.0296	0.333	0.3306
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0048	0.0275	1
Entamoeba histolytica	hypothetical protein	0.0108	0.1022	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0458	0.0662
Echinococcus multilocularis	isocitrate dehydrogenase	0.0048	0.0275	0.021
Loa Loa (eye worm)	transcription factor SMAD2	0.0359	0.4107	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0214	0.2319	0.5647
Echinococcus multilocularis	Niemann Pick C1 protein	0.0145	0.1468	0.1419
Brugia malayi	latrophilin 2 splice variant baaae	0.0075	0.0615	0.1497
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0934	0.2275
Schistosoma mansoni	hypothetical protein	0.0035	0.0119	0.0086
Schistosoma mansoni	hypothetical protein	0.0042	0.0205	0.0233
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0119	0.0289
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0458	0.1115
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0048	0.0275	0.021
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0458	0.0662
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0048	0.0275	1
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0275	0.0351
Echinococcus granulosus	Niemann Pick C1 protein	0.0145	0.1468	0.2394
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0245	0.03
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0119	0.0289
Brugia malayi	Calcitonin receptor-like protein seb-1	0.011	0.1042	0.2538
Schistosoma mansoni	hypothetical protein	0.0035	0.0119	0.0086
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0225	0.0289
Echinococcus multilocularis	Niemann Pick C1 protein	0.0101	0.0934	0.0878
Schistosoma mansoni	hypothetical protein	0.0042	0.0205	0.0233
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.0838	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0119	0.0051
Schistosoma mansoni	hypothetical protein	0.0035	0.0119	0.0086
Entamoeba histolytica	hypothetical protein	0.0108	0.1022	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.2553	0.252
Brugia malayi	hypothetical protein	0.0126	0.1238	0.3015
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0108	0.1022	0.1639
Schistosoma mansoni	hypothetical protein	0.0035	0.0119	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.0547
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.2553	0.4232
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0245	0.0179
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0245	0.03
Schistosoma mansoni	hypothetical protein	0.0042	0.0205	0.0233
Onchocerca volvulus	Huntingtin homolog	0.0126	0.1238	0.4476
Brugia malayi	Pre-SET motif family protein	0.0214	0.2319	0.5647
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.022	0.2396	0.236
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1238	0.3015
Schistosoma mansoni	hypothetical protein	0.0296	0.333	0.5536
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0225	0.0289
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0048	0.0275	0.021
Loa Loa (eye worm)	hypothetical protein	0.0295	0.3319	0.8081
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0615	0.1497
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0458	0.1115
Echinococcus granulosus	geminin	0.051	0.5959	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0048	0.0275	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0048	0.0275	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0108	0.1022	0.0967
Onchocerca volvulus		0.0243	0.2683	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0245	0.0179
Brugia malayi	CHE-14 protein	0.0043	0.0225	0.0547
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0458	0.1115
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0048	0.0275	0.0671
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0833	0.9932	1
Echinococcus multilocularis	protein dispatched 1	0.005	0.03	0.0235
Schistosoma mansoni	hypothetical protein	0.0042	0.0205	0.0233
Entamoeba histolytica	hypothetical protein	0.0108	0.1022	1
Schistosoma mansoni	hypothetical protein	0.051	0.5959	1
Loa Loa (eye worm)	hypothetical protein	0.0233	0.2553	0.6217
Brugia malayi	Pre-SET motif family protein	0.0031	0.0068	0.0166
Entamoeba histolytica	hypothetical protein	0.0108	0.1022	1
Echinococcus granulosus	X box binding protein 1	0.0296	0.333	0.5547
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.011	0.1042	0.2538
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0048	0.0275	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0458	0.0662
Brugia malayi	isocitrate dehydrogenase	0.0048	0.0275	0.0671
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0048	0.0275	0.0352
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0068	0.0023
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0458	0.0662
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0166
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0119	0.0109
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0068	0.2469
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1238	0.3015

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 250 nM	Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenates	ChEMBL.	16297619
Ki (binding)	= 250 nM	Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenates	ChEMBL.	16297619

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

PubChem: 11236826

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 353395