TDR Targets

Basic information

Technical information

TDR Targets ID: 1623398
Name: 2-(3-chlorophenyl)-2-hydroxynonanamide
MW: 283.794 | Formula: C15H22ClNO2
H donors: 2 H acceptors: 2 LogP: 4.05 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCC(c1cccc(c1)Cl)(C(=O)N)O
InChi: 1S/C15H22ClNO2/c1-2-3-4-5-6-10-15(19,14(17)18)12-8-7-9-13(16)11-12/h7-9,11,19H,2-6,10H2,1H3,(H2,17,18)
InChiKey: YAKWOONSXDDYMF-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-(3-chlorophenyl)-2-hydroxy-nonanamide
2-(3-chlorophenyl)-2-hydroxy-pelargonamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	sodium channel, voltage-gated, type IX, alpha subunit	Starlite/ChEMBL	References
Homo sapiens	sodium channel, voltage-gated, type V, alpha subunit	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania braziliensis	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania donovani	calcium channel protein, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania mexicana	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus granulosus	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania major	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus multilocularis	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819

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
Plasmodium falciparum	bromodomain protein 1	0.003	0.0000001849	0.00000022009
Schistosoma mansoni	fusion	0.0129	0.2501	0.2501
Trypanosoma cruzi	WLM domain containing protein, putative	0.0129	0.2501	1
Trichomonas vaginalis	bromodomain containing protein, putative	0.019	0.4061	0.4061
Loa Loa (eye worm)	CBP-B	0.0099	0.1742	0.1742
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Echinococcus multilocularis	ring and YY1 binding protein	0.0129	0.2501	0.2501
Trichomonas vaginalis	bromodomain-containing protein 4, brd4, putative	0.019	0.4061	0.4061
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0129	0.2501	0.2977
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0362	0.8401	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0362	0.8401	0.8401
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0362	0.8401	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Echinococcus granulosus	zinc finger protein Ran binding	0.0129	0.2501	0.2501
Leishmania major	hypothetical protein, conserved	0.0129	0.2501	1
Trichomonas vaginalis	conserved hypothetical protein	0.0235	0.5182	0.5182
Leishmania major	hypothetical protein, conserved	0.0129	0.2501	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Loa Loa (eye worm)	hypothetical protein	0.0129	0.2501	0.2501
Plasmodium vivax	hypothetical protein, conserved	0.0362	0.8401	1
Trichomonas vaginalis	conserved hypothetical protein	0.019	0.4061	0.4061
Schistosoma mansoni	hypothetical protein	0.0129	0.2501	0.2501
Loa Loa (eye worm)	hypothetical protein	0.0425	1	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0129	0.2501	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0425	1	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0129	0.2501	0.2501
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0129	0.2501	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Echinococcus multilocularis	bromodomain containing 2	0.0425	1	1
Onchocerca volvulus		0.0129	0.2501	0.2977
Schistosoma mansoni	brg-1 associated factor	0.0362	0.8401	0.8401
Schistosoma mansoni	zinc finger protein	0.0129	0.2501	0.2501
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Trypanosoma brucei	hypothetical protein, conserved	0.0129	0.2501	1
Entamoeba histolytica	ankyrin repeat protein, putative	0.003	0.0000001849	0.00000045533
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0451	0.0451
Echinococcus granulosus	ring and YY1 binding protein	0.0129	0.2501	0.2501
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0129	0.2501	0.2977
Echinococcus granulosus	CREB binding protein	0.0091	0.1542	0.1542
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.019	0.4061	0.4061
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0105	0.1894	0.1894
Brugia malayi	hypothetical protein	0.0161	0.3304	0.3304
Chlamydia trachomatis	DNA topoisomerase I	0.0362	0.8401	0.5
Chlamydia trachomatis	SWIB complex protein	0.0362	0.8401	0.5
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0000001849	0.00000022009
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0129	0.2501	1
Echinococcus granulosus	sodium channel protein	0.0105	0.1894	0.1894
Brugia malayi	brahma associated protein 60 kDa	0.0362	0.8401	0.8401
Echinococcus multilocularis	sodium channel protein	0.0105	0.1894	0.1894
Echinococcus granulosus	Zinc finger RanBP2 type	0.0129	0.2501	0.2501
Brugia malayi	YY1-associated factor 2	0.0129	0.2501	0.2501
Leishmania major	hypothetical protein, conserved	0.0129	0.2501	1
Brugia malayi	TAZ zinc finger family protein	0.013	0.2528	0.2528
Loa Loa (eye worm)	hypothetical protein	0.0129	0.2501	0.2501
Leishmania major	hypothetical protein, conserved	0.0129	0.2501	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0362	0.8401	0.8401
Echinococcus multilocularis	Bromodomain containing protein	0.019	0.4061	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Entamoeba histolytica	bromodomain-containing protein	0.019	0.4061	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0129	0.2501	0.2501
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0265	0.5939	0.5939
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0362	0.8401	0.8401
Schistosoma mansoni	hypothetical protein	0.0362	0.8401	0.8401
Schistosoma mansoni	hypothetical protein	0.0362	0.8401	0.8401
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0129	0.2501	1
Schistosoma mansoni	TRABID protein (C64 family)	0.0129	0.2501	0.2501
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Trypanosoma cruzi	WLM domain containing protein, putative	0.0129	0.2501	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0129	0.2501	0.2501
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Onchocerca volvulus		0.0129	0.2501	0.2977
Schistosoma mansoni	RNA binding protein	0.0129	0.2501	0.2501
Echinococcus multilocularis	SWI:SNF matrix associated	0.0362	0.8401	0.8401
Toxoplasma gondii	ran binding protein	0.0129	0.2501	0.2977
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0265	0.5939	0.5939
Trichomonas vaginalis	bromodomain containing protein, putative	0.0265	0.5939	0.5939
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0129	0.2501	0.2501
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Onchocerca volvulus		0.0129	0.2501	0.2977
Trypanosoma cruzi	hypothetical protein, conserved	0.0129	0.2501	1
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.013	0.2528	0.2528
Echinococcus granulosus	SWI:SNF matrix associated	0.0362	0.8401	0.8401
Trypanosoma brucei	hypothetical protein, conserved	0.0129	0.2501	1
Giardia lamblia	Kinase, putative	0.019	0.4061	1
Schistosoma mansoni	bromodomain-containing protein 3 brd3	0.0425	1	1
Loa Loa (eye worm)	bromodomain containing protein	0.019	0.4061	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Trichomonas vaginalis	conserved hypothetical protein	0.0362	0.8401	0.8401
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0362	0.8401	1
Echinococcus granulosus	CREB binding protein	0.013	0.2528	0.2528
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0129	0.2501	1
Onchocerca volvulus		0.0129	0.2501	0.2977
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0362	0.8401	1
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0129	0.2501	0.2501
Toxoplasma gondii	bromodomain-containing protein	0.003	0.0000001849	0.00000022009
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Echinococcus granulosus	bromodomain containing 2	0.0425	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0265	0.5939	0.5939
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0129	0.2501	0.2501
Schistosoma mansoni	CREB-binding protein 2	0.013	0.2528	0.2528
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0129	0.2501	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Echinococcus multilocularis	CREB binding protein	0.0098	0.1719	0.1719
Loa Loa (eye worm)	brahma associated protein	0.0362	0.8401	0.8401
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0129	0.2501	0.2501
Onchocerca volvulus		0.019	0.4061	0.4834
Echinococcus multilocularis	SWI:SNF matrix associated	0.0362	0.8401	0.8401
Echinococcus multilocularis	zinc finger protein Ran binding	0.0129	0.2501	0.2501
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Loa Loa (eye worm)	hypothetical protein	0.0129	0.2501	0.2501
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0362	0.8401	1
Onchocerca volvulus		0.0362	0.8401	1
Toxoplasma gondii	bromodomain-containing protein	0.019	0.4061	0.4834
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0105	0.1894	0.7572
Loa Loa (eye worm)	hypothetical protein	0.0129	0.2501	0.2501
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0129	0.2501	0.2977
Entamoeba histolytica	bromodomain-containing protein	0.019	0.4061	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0129	0.2501	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0129	0.2501	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0362	0.8401	0.8401
Schistosoma mansoni	hypothetical protein	0.0362	0.8401	0.8401
Entamoeba histolytica	bromodomain-containing protein	0.019	0.4061	1
Brugia malayi	Bromodomain containing protein	0.0425	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0362	0.8401	0.8401
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0129	0.2501	1
Brugia malayi	brahma associated protein 60 kDa	0.0362	0.8401	0.8401
Loa Loa (eye worm)	hypothetical protein	0.0129	0.2501	0.2501
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0265	0.5939	0.5939
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0425	1	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.019	0.4061	0.4061
Leishmania major	hypothetical protein, conserved	0.0129	0.2501	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 62 %	Antitumor activity against human PC3 cells xenografted in athymic BALB/c nude mouse assessed as reduction in tumor volume at 10 mg/kg, ip qd administered every other day for 24 days	ChEMBL.	22364743
IC50 (binding)	= 1.81 uM	Inhibition of human voltage-gated sodium channel 1.7 expressed in HEK293 cells assessed as changes in membranre potential after 45 mins by FRET analysis	ChEMBL.	22364743
IC50 (binding)	= 5.78 uM	Inhibition of human voltage-gated sodium channel 1.5 expressed in HEK293 cells assessed as changes in membranre potential after 45 mins by FRET analysis	ChEMBL.	22364743
Inhibition (binding)	= 15 %	Displacement of [35S]MK-0499 from human ERG at 0.3 uM after >90 mins by scintillation counting	ChEMBL.	22364743
Inhibition (binding)	= 15 %	Displacement of [35S]MK-0499 from human ERG at 3 uM after >90 mins by scintillation counting	ChEMBL.	22364743
Inhibition (binding)	= 17 %	Displacement of [35S]MK-0499 from human ERG at 1 uM after >90 mins by scintillation counting	ChEMBL.	22364743
Inhibition (binding)	= 31.9 %	Inhibition of human voltage-gated sodium channel 1.2-mediated current expressed in HEK293 cells at -60 to +10 mV holding poteinitial at 1 uM after 5 mins by patch clamp electrophysiology	ChEMBL.	22364743
Inhibition (binding)	= 51 %	Displacement of [35S]MK-0499 from human ERG at 10 uM after >90 mins by scintillation counting	ChEMBL.	22364743
Inhibition (binding)	= 78 %	Displacement of [35S]MK-0499 from human ERG at 30 uM after >90 mins by scintillation counting	ChEMBL.	22364743
Inhibition (binding)	= 87 %	Inhibition of human voltage-gated sodium channel 1.2-mediated current expressed in HEK293 cells at -60 to +10 mV holding poteinitial at 10 uM after 5 mins by patch clamp electrophysiology	ChEMBL.	22364743

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: CHEMBL1958460

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 1623398