TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 373.529 | Formula: C23H35NO3
H donors: 1 H acceptors: 2 LogP: 3.06 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CC[C@]12C3=CCC[C@@H]3CC[C@H]3[C@]2(CO)CCC2C1N(C[C@H]2C)C3
InChi: 1S/C23H35NO3/c1-15-12-24-13-17-7-6-16-4-3-5-19(16)23(11-9-20(26)27-2)21(24)18(15)8-10-22(17,23)14-25/h5,15-18,21,25H,3-4,6-14H2,1-2H3/t15-,16-,17-,18?,21?,22-,23+/m1/s1
InChiKey: QXIYBJSJMAMZDQ-MXBDAMCHSA-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	0.0409	0.314	0.4085
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0007	0.0009
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.0007	0.0009
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0027	0.0007	0.0009
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.0007	0.0009
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0081	0.0105
Brugia malayi	steroid hormone receptor	0.0027	0.0007	0.0009
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0081	0.0105
Brugia malayi	ecdysteroid receptor	0.0027	0.0007	0.0009
Schistosoma mansoni	hypothetical protein	0.0166	0.1148	0.1493
Schistosoma mansoni	RAR-like nuclear receptor	0.0027	0.0007	0.0009
Echinococcus granulosus	carbonic anhydrase	0.0409	0.314	0.4085
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0007	0.0009
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0007	0.0009
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0409	0.314	0.4085
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0009
Schistosoma mansoni	hypothetical protein	0.0409	0.314	0.4085
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0409	0.314	0.4085
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0409	0.314	0.4085
Echinococcus multilocularis	ubiquitin specific protease 41	0.0036	0.0081	0.0105
Trichomonas vaginalis	conserved hypothetical protein	0.1246	1	1
Brugia malayi	Carboxylesterase family protein	0.0067	0.0329	0.0428
Echinococcus multilocularis	geminin	0.0166	0.1148	0.1493
Leishmania major	carbonic anhydrase family protein, putative	0.0926	0.7375	0.959
Schistosoma mansoni	thyroid hormone receptor	0.0151	0.1021	0.1328
Schistosoma mansoni	carbonic anhydrase-related	0.0409	0.314	0.4085
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0036	0.0081	0.0105
Loa Loa (eye worm)	acetylcholinesterase 1	0.0067	0.0329	0.0428
Echinococcus granulosus	acetylcholinesterase	0.0067	0.0329	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0329	0.0428
Loa Loa (eye worm)	carboxylesterase	0.0067	0.0329	0.0428
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0081	0.0105
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0007	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0009
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0964	0.7687	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.0007	0.0009
Brugia malayi	nuclear receptor NHR-88	0.0027	0.0007	0.0009
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0027	0.0007	0.0009
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0027	0.0007	0.0009
Onchocerca volvulus	Protein ultraspiracle homolog	0.0027	0.0007	1
Schistosoma mansoni	carbonic anhydrase-related	0.0409	0.314	0.4085
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0124	0.0797	0.1036
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0926	0.7375	0.5
Schistosoma mansoni	carbonic anhydrase	0.0409	0.314	0.4085
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0964	0.7687	1
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.0007	0.0009
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0151	0.1021	0.1328
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0007	0.0009
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.0007	0.0009
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0007	0.0009
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0635	0.4993	0.5187
Echinococcus granulosus	geminin	0.0166	0.1148	0.1493
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0964	0.7687	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0409	0.314	0.4085
Echinococcus multilocularis	carbonic anhydrase	0.0409	0.314	0.4085
Loa Loa (eye worm)	hypothetical protein	0.0409	0.314	0.4085
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.0007	0.0009
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0067	0.0329	0.0428
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0027	0.0007	0.0009
Brugia malayi	Carboxylesterase family protein	0.0067	0.0329	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0009
Schistosoma mansoni	hypothetical protein	0.0166	0.1148	0.1493
Echinococcus granulosus	carbonic anhydrase II	0.0964	0.7687	1
Toxoplasma gondii	hypothetical protein	0.0409	0.314	0.5
Schistosoma mansoni	carbonic anhydrase	0.0926	0.7375	0.9594
Trypanosoma brucei	carbonic anhydrase-like protein	0.0964	0.7687	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.0007	0.0009
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.0007	0.0009
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0027	0.0007	0.0009
Schistosoma mansoni	coup transcription factor	0.0027	0.0007	0.0009
Loa Loa (eye worm)	carbonic anhydrase 3	0.0964	0.7687	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0329	0.0428
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0964	0.7687	1
Trichomonas vaginalis	conserved hypothetical protein	0.1246	1	1
Echinococcus multilocularis	carboxylesterase 5A	0.0067	0.0329	0.0428
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.0007	0.0009
Onchocerca volvulus	Bile acid receptor homolog	0.0027	0.0007	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0964	0.7687	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0027	0.0007	0.0009
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.0007	0.0009
Echinococcus granulosus	ecdysone induced protein 78C	0.0027	0.0007	0.0009
Onchocerca volvulus		0.0027	0.0007	1
Echinococcus multilocularis	carbonic anhydrase II	0.0964	0.7687	1
Echinococcus multilocularis	carbonic anhydrase	0.0409	0.314	0.4085
Echinococcus granulosus	carbonic anhydrase	0.0409	0.314	0.4085
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0009
Echinococcus multilocularis	acetylcholinesterase	0.0067	0.0329	0.0428
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0036	0.0081	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0009
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0027	0.0007	0.0009
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0007	0.0009
Schistosoma mansoni	carbonic anhydrase-related	0.0409	0.314	0.4085
Echinococcus multilocularis	acetylcholinesterase	0.0067	0.0329	0.0428
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.0007	0.0009
Echinococcus granulosus	FTZ F1 alpha	0.0027	0.0007	0.0009
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0409	0.314	0.4085
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.0007	0.0009
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.0007	0.0009
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0027	0.0007	0.0009
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0027	0.0007	0.0009
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0964	0.7687	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.0007	0.0009
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0007	0.0009
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0027	0.0007	1
Plasmodium falciparum	carbonic anhydrase	0.0409	0.314	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0027	0.0007	0.0009
Leishmania major	carbonic anhydrase-like protein	0.0964	0.7687	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0027	0.0007	0.0009
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.0007	0.0009
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0081	0.0105
Echinococcus granulosus	acetylcholinesterase	0.0067	0.0329	0.0428
Schistosoma mansoni	thyroid hormone receptor	0.0151	0.1021	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0009
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0027	0.0007	0.0009
Echinococcus granulosus	carbonic anhydrase	0.0409	0.314	0.4085
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0007	0.0009
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0124	0.0797	0.1036
Echinococcus multilocularis	FTZ F1 alpha	0.0027	0.0007	0.0009
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0964	0.7687	1
Entamoeba histolytica	carbonic anhydrase, putative	0.0926	0.7375	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0027	0.0007	0.0009
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0027	0.0007	0.0009
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0027	0.0007	0.0009
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0007	0.0009
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.0007	0.0009
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0409	0.314	0.4085
Echinococcus granulosus	ubiquitin specific protease 41	0.0036	0.0081	0.0105
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0036	0.0081	0.0105
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0027	0.0007	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0007	0.0009
Schistosoma mansoni	retinoic acid receptor RXR	0.0027	0.0007	0.0009
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.0007	0.0009
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0.0081	0.5
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0409	0.314	0.4085
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0027	0.0007	0.0009
Echinococcus multilocularis	carbonic anhydrase	0.0409	0.314	0.4085
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.0007	0.0009
Schistosoma mansoni	hypothetical protein	0.0124	0.0797	0.1036
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0027	0.0007	0.0009
Brugia malayi	nuclear hormone receptor	0.0027	0.0007	0.0009
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.0955	0.7618	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0081	0.0105
Echinococcus granulosus	carboxylesterase 5A	0.0067	0.0329	0.0428

Activities

Activity type	Assay description	Source	Reference
Activity (functional)	Inhibition of PAF-induced platelet aggregation (unknown origin)	ChEMBL.	17650015
Activity (functional)	Inhibition of ADP-induced platelet aggregation (unknown origin)	ChEMBL.	17650015
Activity (functional)	Inhibition of AA-induced platelet aggregation (unknown origin)	ChEMBL.	17650015

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

No external resources registered for this compound

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 502965