TDR Targets

Basic information

Technical information

TDR Targets ID: 427879
Name: 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohe xan-3-yl]-N-(4-fluorophenyl)sulfonyl-1,2,4-ox adiazole-3-carboxamide
MW: 482.526 | Formula: C21H27FN4O6S
H donors: 3 H acceptors: 7 LogP: 4 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)C[C@H](c1onc(n1)C(=O)NS(=O)(=O)c1ccc(cc1)F)CCCC1CCCCC1
InChi: 1S/C21H27FN4O6S/c22-16-9-11-17(12-10-16)33(30,31)26-20(28)19-23-21(32-25-19)15(13-18(27)24-29)8-4-7-14-5-2-1-3-6-14/h9-12,14-15,29H,1-8,13H2,(H,24,27)(H,26,28)/t15-/m1/s1
InChiKey: NYCSKDJIESBLAN-OAHLLOKOSA-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

5-[(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxo-ethyl]butyl]-N-(4-fluorophenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide
5-[(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl]-N-(4-fluorophenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide
5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxo-hexan-3-yl]-N-(4-fluorophenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide
5-[(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-keto-ethyl]butyl]-N-(4-fluorophenyl)sulfonyl-1,2,4-oxadiazole-3-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tolloid-like 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K09608 tolloid-like protein 1, putative	Get druggable targets OG5_130155	All targets in OG5_130155
Loa Loa (eye worm)	bone morphogenetic protein 1b	Get druggable targets OG5_130155	All targets in OG5_130155
Loa Loa (eye worm)	AStacin protease	Get druggable targets OG5_130155	All targets in OG5_130155
Schistosoma japonicum	IPR000859,CUB,domain-containing	Get druggable targets OG5_130155	All targets in OG5_130155
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	Get druggable targets OG5_130155	All targets in OG5_130155
Schistosoma japonicum	Iroquois-class homeodomain protein IRX-1, putative	Get druggable targets OG5_130155	All targets in OG5_130155
Echinococcus multilocularis	Tolloid protein 1	Get druggable targets OG5_130155	All targets in OG5_130155
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130155	All targets in OG5_130155
Schistosoma japonicum	Bone morphogenetic protein 1 homolog precursor, putative	Get druggable targets OG5_130155	All targets in OG5_130155
Schistosoma japonicum	Tolloid-like protein 2 precursor, putative	Get druggable targets OG5_130155	All targets in OG5_130155
Echinococcus granulosus	Tolloid protein 1	Get druggable targets OG5_130155	All targets in OG5_130155

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
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0014	0.1513	0.1513
Brugia malayi	ecdysone receptor	0.0014	0.1513	0.2541
Onchocerca volvulus	Arrow homolog	0.0016	0.1857	0.103
Loa Loa (eye worm)	AStacin protease	0.0035	0.5701	0.5701
Echinococcus granulosus	thyroid hormone receptor alpha	0.0014	0.1513	0.1513
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.4853	0.4853
Echinococcus granulosus	nuclear receptor nhr 48	0.0014	0.1513	0.1513
Brugia malayi	ecdysteroid receptor	0.0031	0.4853	0.8149
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0031	0.4853	0.4853
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0031	0.4853	0.4853
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.4853	0.8149
Schistosoma mansoni	nuclear receptor nhr-48	0.0014	0.1513	0.1513
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0053	0.9534	0.9534
Loa Loa (eye worm)	nuclear hormone receptor	0.0014	0.1513	0.1513
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.4853	0.8149
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0031	0.4853	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.5955	0.5955
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0014	0.1513	0.1513
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0031	0.4853	0.4853
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0031	0.4853	0.8149
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0031	0.4853	0.4853
Echinococcus granulosus	voltage gated potassium channel	0.001	0.0682	0.0682
Onchocerca volvulus	Protein ultraspiracle homolog	0.0031	0.4853	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0031	0.4853	0.4853
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.1871	0.3141
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0014	0.1513	0.1513
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0014	0.1513	0.2541
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0031	0.4853	0.8149
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0031	0.4853	0.4853
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0031	0.4853	0.4853
Onchocerca volvulus		0.0031	0.4853	1
Loa Loa (eye worm)	DR-78	0.0014	0.1513	0.1513
Brugia malayi	conserved hypotetical protein	0.0014	0.1513	0.2541
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0018	0.223	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.4853	0.8149
Brugia malayi	nuclear receptor NHR-88	0.0031	0.4853	0.8149
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0014	0.1513	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0031	0.4975	0.4975
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0016	0.1871	0.1871
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0014	0.1513	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0016	0.1857	0.1857
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0016	0.1871	0.1871
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0031	0.4853	0.4853
Brugia malayi	nuclear hormone receptor	0.0031	0.4853	0.8149
Brugia malayi	Nuclear hormone receptor E75	0.0014	0.1513	0.2541
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0018	0.223	0.5
Schistosoma mansoni	coup transcription factor	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0016	0.1857	0.1857
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0014	0.1513	0.1513
Brugia malayi	hypothetical protein	0.0016	0.1871	0.3141
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0031	0.4853	0.4853
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0031	0.4853	0.4853
Schistosoma mansoni	nuclear receptor	0.0014	0.1513	0.1513
Brugia malayi	hypothetical protein	0.0014	0.1513	0.2541
Echinococcus multilocularis	laminin	0.0018	0.223	0.223
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.6637	0.6637
Brugia malayi	Nuclear hormone receptor E75	0.0014	0.1513	0.2541
Schistosoma mansoni	nuclear hormone receptor	0.0014	0.1513	0.1513
Brugia malayi	Calcium binding EGF domain containing protein	0.0018	0.223	0.3745
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0031	0.4853	0.8149
Brugia malayi	tailless protein	0.0014	0.1513	0.2541
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0014	0.1513	0.1513
Brugia malayi	Fibulin-1 precursor	0.0018	0.223	0.3745
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.5955	0.5955
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0031	0.4853	0.4853
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.4853	0.4853
Onchocerca volvulus	Bile acid receptor homolog	0.0031	0.4853	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.1871	0.1871
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0016	0.1871	0.1871
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.4853	0.4853
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0014	0.1513	0.1513
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0682	0.0682
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0031	0.4853	0.4853
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0031	0.4853	0.8149
Echinococcus multilocularis	voltage gated potassium channel	0.001	0.0682	0.0682
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.4853	0.8149
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0031	0.4853	0.4853
Brugia malayi	hypothetical protein	0.0014	0.1513	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Loa Loa (eye worm)	steroid hormone receptor	0.0031	0.4853	0.4853
Schistosoma mansoni	nuclear receptor	0.0014	0.1513	0.1513
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0031	0.4853	0.4853
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0016	0.1857	0.3119
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0031	0.4853	0.8149
Loa Loa (eye worm)	hypothetical protein	0.0018	0.223	0.223
Echinococcus granulosus	FTZ F1 alpha	0.0031	0.4853	0.4853
Echinococcus multilocularis	FTZ F1 alpha	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Brugia malayi	orphan nuclear receptor NR2E1	0.0014	0.1513	0.2541
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.5955	0.5955
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.4853	0.8149
Echinococcus granulosus	ecdysone induced protein 78C	0.0031	0.4853	0.4853
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.4853	0.8149
Loa Loa (eye worm)	hypothetical protein	0.0031	0.4853	0.4853
Brugia malayi	nuclear receptor RXR	0.0014	0.1513	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0031	0.4853	0.4853
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.1871	0.3141
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.4853	0.8149
Brugia malayi	hypothetical protein	0.0016	0.1871	0.3141
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Brugia malayi	photoreceptor-specific nuclear receptor	0.0031	0.4853	0.8149
Loa Loa (eye worm)	hypothetical protein	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0031	0.4853	0.8149
Brugia malayi	nuclear hormone receptor	0.0014	0.1513	0.2541
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0016	0.1871	0.1871
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0014	0.1513	0.1513
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.001	0.0682	0.0682
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.6637	0.6637
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0682	0.0682
Brugia malayi	nuclear receptor RXR	0.0016	0.1871	0.3141
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0031	0.4853	0.4853
Echinococcus multilocularis	ecdysone induced protein 78C	0.0031	0.4853	0.4853
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.5467	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0016	0.1871	0.1871
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.4853	0.4853
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0014	0.1513	0.1513
Schistosoma mansoni	retinoic acid receptor RXR	0.0031	0.4853	0.4853
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.5955	1
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0018	0.223	0.223
Loa Loa (eye worm)	hypothetical protein	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0023	0.3202	0.3202
Schistosoma mansoni	nuclear hormone receptor	0.0014	0.1513	0.1513
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0031	0.4853	0.8149
Brugia malayi	nuclear receptor NHR-88	0.0014	0.1513	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.4853	0.4853
Brugia malayi	nuclear hormone receptor family member odr-7	0.0014	0.1513	0.2541
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0031	0.4853	0.4853
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0016	0.1871	0.1871
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0014	0.1513	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0016	0.1871	0.1871
Loa Loa (eye worm)	hypothetical protein	0.001	0.0682	0.0682
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0056	1	1
Brugia malayi	nuclear receptor NHR-67	0.0014	0.1513	0.2541
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0014	0.1513	0.1513
Echinococcus granulosus	laminin	0.0018	0.223	0.223
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.4853	0.4853
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0056	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0014	0.1513	0.1513
Schistosoma mansoni	egf-like domain protein	0.0016	0.1857	0.1857
Echinococcus multilocularis	fibrillin 1	0.0018	0.223	0.223
Brugia malayi	Steroid receptor seven-up type 2	0.0031	0.4853	0.8149
Echinococcus multilocularis	Tolloid protein 1	0.0056	1	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.001	0.0682	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0031	0.4853	0.4853
Schistosoma mansoni	zinc finger protein	0.0014	0.1513	0.1513
Brugia malayi	steroid hormone receptor	0.0031	0.4853	0.8149
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0016	0.1871	0.1871
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0031	0.4853	0.4853
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0014	0.1513	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0016	0.1857	0.1857
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.001	0.0682	0.0682
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0031	0.4853	0.4853
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0014	0.1513	0.1513
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.5467	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0016	0.1871	0.1871
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0031	0.4853	0.4853
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1513	0.1513
Schistosoma mansoni	RAR-like nuclear receptor	0.0031	0.4853	0.4853
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0031	0.4853	0.4853

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 33 nM	Inhibition of human procollagen C-proteinase expressed in CHO cells	ChEMBL.	17591762
IC50 (binding)	= 33 nM	Inhibition of human procollagen C-proteinase expressed in CHO cells	ChEMBL.	17591762

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: 10184459

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 427879