TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.498 | Formula: C23H31NO2
H donors: 2 H acceptors: 2 LogP: 4.21 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@H](CN1[C@H](CC[C@H]1CCc1ccccc1)CCc1ccccc1)O
InChi: 1S/C23H31NO2/c25-18-23(26)17-24-21(13-11-19-7-3-1-4-8-19)15-16-22(24)14-12-20-9-5-2-6-10-20/h1-10,21-23,25-26H,11-18H2/t21-,22+,23-/m1/s1
InChiKey: AWUREWOEIOQWRK-XPWALMASSA-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	hypothetical protein	0.001	0.0031	0.0046
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0031	0.0046
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0028	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.021	0.0867
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0323	0.048
Plasmodium falciparum	chorismate synthase	0.0173	0.2124	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0347	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0131	0.0194
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.021	0.5697
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0215	0.2671	0.3965
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0498	0.0498
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0131	0.0144
Onchocerca volvulus		0.001	0.0031	0.0005
Mycobacterium ulcerans	chorismate synthase	0.0173	0.2124	1
Schistosoma mansoni	coup transcription factor	0.001	0.0031	0.0046
Brugia malayi	topoisomerase	0.001	0.0028	0.0041
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.001	0.0028	0.0041
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0031	0.0046
Schistosoma mansoni	hypothetical protein	0.0015	0.0095	0.0141
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.052	0.0772
Echinococcus granulosus	GPCR family 2	0.0015	0.0095	0.0141
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0095	0.0141
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.021	0.1877
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.1386	0.2058
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0095	0.0141
Loa Loa (eye worm)	hypothetical protein	0.001	0.0028	0.0041
Schistosoma mansoni	hypothetical protein	0.0337	0.4231	0.6283
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0028	0.0041
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0031	0.0046
Brugia malayi	hypothetical protein	0.001	0.0028	0.0041
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0028	0.0041
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0031	0.0046
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0031	0.0031
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0031	0.0005
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0028	0.0041
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0028	0.0028
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0095	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0323	0.048
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0031	0.0046
Brugia malayi	DKFZp564C0469 protein	0.001	0.0028	0.0041
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0031	0.0046
Schistosoma mansoni	hypothetical protein	0.0015	0.0095	0.0141
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0031	0.0046
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0031	0.0031
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0131	0.0492
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0028	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0498	0.074
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0095	0.0141
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.021	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0031	0.0046
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0031	0.0046
Plasmodium vivax	chorismate synthase	0.0173	0.2124	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0028	0.0041
Treponema pallidum	DNA ligase (lig)	0.001	0.0028	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0347	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0024	0.021	0.0311
Schistosoma mansoni	hypothetical protein	0.0035	0.0347	0.0515
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.021	0.0311
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0031	0.0046
Echinococcus multilocularis	nibrin	0.001	0.0028	0.0028
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0031	0.0031
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0.0028	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0031	0.0046
Echinococcus granulosus	sodium bile acid cotransporter	0.0531	0.6735	1
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0031	0.0046
Schistosoma mansoni	sodium-bile acid cotransporter	0.0316	0.3963	0.5884
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.021	0.0867
Mycobacterium ulcerans	hypothetical protein	0.0024	0.021	0.0867
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0095	0.0095
Brugia malayi	steroid hormone receptor	0.001	0.0031	0.0046
Loa Loa (eye worm)	hypothetical protein	0.001	0.0031	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0531	0.6735	1
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0031	0.0046
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0031	0.0046
Loa Loa (eye worm)	hypothetical protein	0.001	0.0031	0.0046
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.021	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0031	0.0046
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.021	0.5697
Brugia malayi	nuclear receptor NHR-88	0.001	0.0031	0.0046
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.021	0.104
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0031	0.0046
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0031	0.0046
Giardia lamblia	Replication factor C, subunit 1	0.001	0.0028	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.021	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0031	0.0046
Mycobacterium tuberculosis	Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase)	0.0085	0.0996	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0031	0.0046
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.021	0.0311
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0031	0.0031
Chlamydia trachomatis	chorismate synthase	0.0173	0.2124	1
Schistosoma mansoni	DNA ligase IV	0.001	0.0028	0.0041
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0498	0.074
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0031	0.0046
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0031	0.0031
Brugia malayi	hypothetical protein	0.001	0.0028	0.0041
Entamoeba histolytica	hypothetical protein	0.0035	0.0347	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0031	0.0046
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0031	0.0046
Brugia malayi	MH2 domain containing protein	0.0116	0.1386	0.2058
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0131	0.0194
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0531	0.6735	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.021	0.0311
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.021	0.1877
Loa Loa (eye worm)	hypothetical protein	0.001	0.0028	0.0041
Schistosoma mansoni	hypothetical protein	0.0033	0.0323	0.048
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0131	0.0194
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0031	0.0046
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0028	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.021	0.0867
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0028	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0347	0.0347
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0498	0.074
Echinococcus multilocularis	sodium bile acid cotransporter	0.0531	0.6735	0.6735
Entamoeba histolytica	hypothetical protein	0.0035	0.0347	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0031	0.0046
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0028	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.0095	0.0141
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0031	0.0046
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0028	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0131	0.0194
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0031	0.0046
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.052	0.0772
Entamoeba histolytica	hypothetical protein	0.0035	0.0347	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0131	0.0492
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.052	0.0772
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0031	0.0031
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0031	0.0046
Onchocerca volvulus		0.0024	0.021	0.0271
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.021	0.104
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0031	0.0005
Schistosoma mansoni	hypothetical protein	0.0337	0.4231	0.6283
Brugia malayi	ecdysteroid receptor	0.001	0.0031	0.0046
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0131	0.0492
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0031	0.0046
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0031	0.0046
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0028	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0031	0.0046
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0031	0.0046
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0031	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0095	0.0141
Mycobacterium leprae	Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase).	0.0085	0.0996	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.052	0.0772
Echinococcus granulosus	sodium bile acid cotransporter	0.0531	0.6735	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0031	0.0046
Toxoplasma gondii	chorismate synthase, putative	0.0173	0.2124	1
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0031	0.0046
Loa Loa (eye worm)	hypothetical protein	0.001	0.0031	0.0046
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0031	0.0046
Brugia malayi	nuclear hormone receptor	0.001	0.0031	0.0046
Loa Loa (eye worm)	hypothetical protein	0.001	0.0028	0.0041
Brugia malayi	hypothetical protein	0.0035	0.0347	0.0515
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0498	0.074
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0498	0.074
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0498	0.0498
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0031	0.0046
Echinococcus multilocularis	sodium bile acid cotransporter	0.0531	0.6735	0.6735
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0031	0.0046
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0031	0.0046
Echinococcus granulosus	nibrin	0.001	0.0028	0.0041
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0131	0.0492
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0031	0.0046
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0031	0.0046
Echinococcus granulosus	geminin	0.0337	0.4231	0.6283
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0131	0.0194
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0498	0.074
Loa Loa (eye worm)	hypothetical protein	0.0024	0.021	0.0311
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.1386	0.2058
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0095	0.0095
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0095	0.0141
Echinococcus multilocularis	sodium bile acid cotransporter	0.0531	0.6735	0.6735
Loa Loa (eye worm)	hypothetical protein	0.0024	0.021	0.0311
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0031	0.0046
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.021	0.0867
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0028	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0347	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0498	0.074
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.021	0.0867
Schistosoma mansoni	topbp1	0.001	0.0028	0.0041
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0031	0.0046
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0031	0.0046
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0031	0.0031
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0031	0.0046
Schistosoma mansoni	topbp1	0.001	0.0028	0.0041
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0031	0.0005
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0028	1
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0031	0.0046
Echinococcus multilocularis	geminin	0.0337	0.4231	0.4231
Loa Loa (eye worm)	hypothetical protein	0.001	0.0028	0.0041
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0031	0.0046
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0028	0.0000016517
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.021	0.0867
Schistosoma mansoni	hypothetical protein	0.0015	0.0095	0.0141
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0031	0.0031
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0031	0.0046
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.021	0.5697
Onchocerca volvulus		0.0531	0.6735	1
Echinococcus granulosus	sodium bile acid cotransporter	0.0531	0.6735	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.021	0.0867
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0031	0.0046
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0031	0.0031
Brugia malayi	Sodium Bile acid symporter family protein	0.0531	0.6735	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0031	0.0046

Activities

No activities found for this compound.

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: CHEMBL3039710

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1795791