TDR Targets

Basic information

Technical information

TDR Targets ID: 426981
Name: 3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyrida zin-3-yl]-1,2,4-oxadiazole
MW: 413.472 | Formula: C24H23N5O2
H donors: 0 H acceptors: 4 LogP: 4.39 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)OC1CCN(CC1)c1ccc(nn1)c1onc(n1)Cc1ccccc1
InChi: 1S/C24H23N5O2/c1-3-7-18(8-4-1)17-22-25-24(31-28-22)21-11-12-23(27-26-21)29-15-13-20(14-16-29)30-19-9-5-2-6-10-19/h1-12,20H,13-17H2
InChiKey: ZGLPQRSDHLPYMT-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

3-benzyl-5-[6-(4-phenoxy-1-piperidyl)pyridazin-3-yl]-1,2,4-oxadiazole
3-benzyl-5-[6-(4-phenoxy-1-piperidinyl)-3-pyridazinyl]-1,2,4-oxadiazole
5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-3-(phenylmethyl)-1,2,4-oxadiazole
3-benzyl-5-[6-(4-phenoxypiperidino)pyridazin-3-yl]-1,2,4-oxadiazole
3-[4-(phenoxy)piperidin-1-yl]-6-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]pyridazine
3-[4-(phenoxy)-1-piperidyl]-6-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]pyridazine
3-[4-(phenoxy)-1-piperidinyl]-6-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]pyridazine
3-[3-(benzyl)-1,2,4-oxadiazol-5-yl]-6-[4-(phenoxy)-1-piperidyl]pyridazine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	stearoyl-Coenzyme A desaturase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium berghei	stearoyl-CoA desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Onchocerca volvulus		Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma cruzi	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania mexicana	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania major	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Neospora caninum	fatty acyl-CoA desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania infantum	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania braziliensis	stearic acid desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania donovani	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania infantum	stearic acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Plasmodium knowlesi	stearoyl-CoA desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Candida albicans	one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9-fatty acid desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Plasmodium yoelii	delta-9 fatty acid desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma cruzi	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Candida albicans	one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9-fatty acid desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma brucei gambiense	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania mexicana	stearic acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Brugia malayi	acyl-CoA desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Plasmodium falciparum	stearoyl-CoA desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma brucei	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania major	stearic acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Loa Loa (eye worm)	acyl-CoA desaturase	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma cruzi	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Trypanosoma congolense	fatty acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania donovani	stearic acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939
Onchocerca volvulus		Get druggable targets OG5_126939	All targets in OG5_126939
Leishmania braziliensis	fatty-acid desaturase, putative	Get druggable targets OG5_126939	All targets in OG5_126939

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0018	0.0447	0.5
Leishmania major	fatty acid desaturase, putative	0.0018	0.0447	0.0188
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.5226	0.5226
Onchocerca volvulus		0.0017	0.0361	0.0397
Brugia malayi	Fatty acid desaturase family protein	0.0018	0.0447	0.0491
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.0068	0.3727	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.5226	0.5226
Onchocerca volvulus		0.0017	0.0361	0.0397
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0361	1
Onchocerca volvulus		0.0017	0.0361	0.0397
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Mycobacterium ulcerans	hypothetical protein	0.0018	0.0447	0.5
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0018	0.0447	0.0188
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0361	0.0397
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0018	0.0447	0.5
Toxoplasma gondii	sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein	0.0018	0.0447	1
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0018	0.0447	0.0188
Trypanosoma cruzi	fatty acid desaturase, putative	0.0068	0.3727	0.7408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0064	0.3431	0.6756
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0361	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0361	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.5226	0.5749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0361	0.0397
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0361	0.0361
Leishmania major	cathepsin L-like protease	0.0064	0.3431	0.6756
Onchocerca volvulus		0.0017	0.0361	0.0397
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0361	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.5226	0.5226
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Schistosoma mansoni	fatty acid desaturase	0.0018	0.0447	0.0447
Loa Loa (eye worm)	FAT-3 protein	0.0018	0.0447	0.0491
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.0018	0.0447	0.0447
Trypanosoma cruzi	fatty acid desaturase, putative	0.0018	0.0447	0.0188
Trypanosoma cruzi	sphingolipid delta 4 desaturase, putative	0.0018	0.0447	0.0188
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0361	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Loa Loa (eye worm)	fatty acid desaturase	0.0018	0.0447	0.0491
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0361	0.0397
Trypanosoma cruzi	fatty acid desaturase, putative	0.0086	0.4904	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.5226	0.5226
Onchocerca volvulus		0.0017	0.0361	0.0397
Leishmania major	delta-12 fatty acid desaturase	0.0018	0.0447	0.0188
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0361	0.0397
Loa Loa (eye worm)	cysteine protease	0.0017	0.0361	0.0397
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0361	1
Leishmania major	delta-5 fatty acid desaturase	0.0018	0.0447	0.0188
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0361	0.0361
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0361	1
Leishmania major	fatty acid desaturase, putative	0.0018	0.0447	0.0188
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0018	0.0447	0.0188
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0361	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0361	0.0397
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0361	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.5226	0.5047
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0361	1
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0018	0.0447	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0361	1
Trypanosoma cruzi	cytochrome b5-dependent oleate desaturase	0.0018	0.0447	0.0188
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3_2	0.0018	0.0447	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Loa Loa (eye worm)	fibroinase	0.0017	0.0361	0.0397
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0361	0.0397
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0361	1
Leishmania major	delta-6 fatty acid desaturase	0.0018	0.0447	0.0188
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0018	0.0447	0.0188
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0361	0.0361
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0361	0.0397
Leishmania major	delta-4 fatty acid desaturase	0.0018	0.0447	0.0188
Leishmania major	cathepsin L-like protease	0.0064	0.3431	0.6756
Echinococcus granulosus	cathepsin l1	0.0017	0.0361	0.0361
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Brugia malayi	Delta5 fatty acid desaturase	0.0018	0.0447	0.0491
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0361	0.0397
Trypanosoma cruzi	fatty acid desaturase, putative	0.0018	0.0447	0.0188
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.3431	0.6756
Leishmania major	cathepsin L-like protease	0.0064	0.3431	0.6756
Leishmania major	fatty-acid desaturase, putative	0.0086	0.4904	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Brugia malayi	acyl-CoA desaturase	0.0068	0.3727	0.41
Mycobacterium ulcerans	hypothetical protein	0.0018	0.0447	0.5
Schistosoma mansoni	hypothetical protein	0.0164	1	1
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0018	0.0447	0.0188
Plasmodium falciparum	stearoyl-CoA desaturase	0.0068	0.3727	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.254	0.4796
Trypanosoma brucei	fatty acid desaturase, putative	0.0086	0.4904	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.307	0.5962
Echinococcus granulosus	Fatty acid desaturase type 1	0.0018	0.0447	0.0447
Mycobacterium ulcerans	transmembrane alkane 1-monooxygenase AlkB	0.0018	0.0447	0.5
Mycobacterium tuberculosis	Probable conserved membrane protein	0.0018	0.0447	0.5
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0018	0.0447	0.0089
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0361	0.0361
Mycobacterium tuberculosis	Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f	0.0018	0.0447	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0361	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Onchocerca volvulus		0.015	0.909	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0361	0.0397
Onchocerca volvulus		0.0017	0.0361	0.0397
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0447	0.0491
Trypanosoma cruzi	fatty acid desaturase, putative	0.0068	0.3727	0.7408
Onchocerca volvulus		0.0086	0.4904	0.5396
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0361	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.5226	0.5226
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Loa Loa (eye worm)	fatty acid desaturase	0.0018	0.0447	0.0491
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0018	0.0447	0.0188
Leishmania major	stearic acid desaturase, putative	0.0086	0.4904	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0361	0.0397
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0361	0.0397
Loa Loa (eye worm)	acyl-CoA desaturase	0.0068	0.3727	0.41
Schistosoma mansoni	hypothetical protein	0.0164	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.3431	0.6756
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0018	0.0447	0.0089
Brugia malayi	Fatty acid desaturase family protein	0.0018	0.0447	0.0491
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.0018	0.0447	0.0089
Onchocerca volvulus		0.0017	0.0361	0.0397
Brugia malayi	hypothetical protein	0.015	0.909	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.3431	0.6694
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.3431	0.6756
Onchocerca volvulus		0.0018	0.0447	0.0491
Onchocerca volvulus		0.0086	0.4904	0.5396
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0361	0.0397
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0361	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.5226	0.5749
Loa Loa (eye worm)	ctsf protein	0.0017	0.0361	0.0397
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0361	0.0397
Echinococcus multilocularis	geminin	0.0164	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.5226	0.5047
Loa Loa (eye worm)	hypothetical protein	0.015	0.909	1
Mycobacterium ulcerans	electron transfer protein FdxB	0.0018	0.0447	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10 nM	Inhibition of SCD1 in ob/ob mouse liver microsome	ChEMBL.	17530838
IC50 (binding)	= 10 nM	Inhibition of SCD1 in ob/ob mouse liver microsome	ChEMBL.	17530838
IC50 (binding)	= 4860 nM	Inhibition of human recombinant SCD1 expressed in S6 cells	ChEMBL.	17530838
Stabilty (ADMET)	0	Metabolic stability in ob/ob mouse liver microsome	ChEMBL.	17530838
Stabilty (ADMET)	0	Metabolic stability in Sprague-Dawley rat liver microsome	ChEMBL.	17530838

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: CHEMBL227281
PubChem: 16732295

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 426981