TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 351.439 | Formula: C22H25NO3
H donors: 0 H acceptors: 1 LogP: 3.61 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(ccc2c1OC(C)(C)C=C2)CN(C(=O)C)Cc1ccccc1
InChi: 1S/C22H25NO3/c1-16(24)23(14-17-8-6-5-7-9-17)15-19-11-10-18-12-13-22(2,3)26-21(18)20(19)25-4/h5-13H,14-15H2,1-4H3
InChiKey: XAEVOMUVLMWZAW-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

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
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.022	0.07
Schistosoma mansoni	hypothetical protein	0.0035	0.0311	0.0734
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0051	0.0039
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0051	0.0039
Loa Loa (eye worm)	hypothetical protein	0.002	0.0146	0.045
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0051	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0051	0.0131
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0051	0.0131
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.022	0.3582
Entamoeba histolytica	hypothetical protein	0.0039	0.0358	0.8663
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0134	0.2174
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0051	0.0096
Entamoeba histolytica	acetyltransferase, GNAT family	0.0044	0.0411	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.022	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.022	0.3454
Echinococcus multilocularis	ubiquitin specific protease 41	0.004	0.037	0.0358
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0051	0.0131
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0051	0.0039
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0051	0.0096
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0358	0.0849
Echinococcus granulosus	ubiquitin specific protease 41	0.004	0.037	0.0878
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.022	0.3454
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.022	0.3454
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0051	0.0096
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0311	0.0734
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.004	0.037	0.0878
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.022	0.07
Schistosoma mansoni	hypothetical protein	0.0035	0.0311	0.0734
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.004	0.037	0.8072
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0311	0.1006
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.022	0.3454
Loa Loa (eye worm)	hypothetical protein	0.0027	0.022	0.07
Onchocerca volvulus		0.0027	0.022	1
Echinococcus multilocularis	geminin	0.0376	0.4084	0.4077
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.004	0.037	0.8072
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0163	0.1726	0.421
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.004	0.037	0.0878
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0048	0.0455	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0051	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0051	0.0131
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0051	0.1878
Brugia malayi	acetyltransferase, GNAT family protein	0.0163	0.1726	0.5768
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.022	0.07
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0008	0.0012	0.0196
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0051	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0051	0.0131
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0062	0.0614	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0062	0.0614	0.2027
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0051	0.0096
Onchocerca volvulus		0.0012	0.0058	0.2229
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.037	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.037	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0051	0.0131
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0051	0.0096
Onchocerca volvulus		0.0011	0.0051	0.1878
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.011	0.1144	0.3808
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.0146	0.2218
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0051	0.0131
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.022	0.5215
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0062	0.0614	0.148
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0163	0.1726	0.1716
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0311	0.0299
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0051	0.0096
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0311	0.0299
Entamoeba histolytica	hypothetical protein	0.0039	0.0358	0.8663
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.004	0.037	0.0358
Loa Loa (eye worm)	acetyltransferase	0.0163	0.1726	0.5768
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0062	0.0614	1
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0358	0.0849
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0051	0.0096
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0051	0.0131
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.004	0.037	0.5936
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.022	0.3454
Entamoeba histolytica	hypothetical protein	0.0039	0.0358	0.8663
Schistosoma mansoni	hypothetical protein	0.0376	0.4084	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0051	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0027	0.022	0.07
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.011	0.1144	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0051	0.0131
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0051	0.0039
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0051	0.0096
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0311	0.0299
Brugia malayi	ecdysteroid receptor	0.0011	0.0051	0.0131
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.004	0.037	0.1203
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.022	0.5215
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.022	0.3454
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0758	0.2511
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0051	0.0096
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0008	0.0012	0.0196
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0062	0.0614	0.0603
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.037	0.8072
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0051	0.0096
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0051	0.0096
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0051	0.0131
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0048	0.0455	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0146	0.045
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0051	0.0131
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0146	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0051	0.0039
Brugia malayi	nuclear hormone receptor	0.0011	0.0051	0.0131
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0051	0.0131
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0051	0.0131
Loa Loa (eye worm)	hypothetical protein	0.002	0.0146	0.045
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.004	0.037	0.0878
Loa Loa (eye worm)	hypothetical protein	0.004	0.037	0.1203
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0062	0.0614	1
Echinococcus granulosus	geminin	0.0376	0.4084	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0134	0.2174
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0051	0.0131
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0058	0.0568	0.1871
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0051	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0051	0.0131
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.022	0.3454
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.022	0.3582
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0311	0.1006
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0051	0.0096
Plasmodium falciparum	histone acetyltransferase GCN5	0.0044	0.0411	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0134	0.2174
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0051	0.0131
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0051	0.0096
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0134	0.2174
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0008	0.0012	0.0196
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0146	0.3349
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0311	0.1006
Schistosoma mansoni	hypothetical protein	0.0039	0.0358	0.0849
Schistosoma mansoni	hypothetical protein	0.0035	0.0311	0.0734
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0051	0.1878
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0051	0.0131
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0051	0.1878
Mycobacterium ulcerans	hypothetical protein	0.0027	0.022	0.3454
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0146	0.237
Schistosoma mansoni	coup transcription factor	0.0011	0.0051	0.0096
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0048	0.0455	0.1088
Brugia malayi	Calcitonin receptor-like protein seb-1	0.011	0.1144	0.3808
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0008	0.0012	0.0196
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.004	0.037	0.0878
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0051	0.0131
Giardia lamblia	Histone acetyltransferase GCN5	0.0044	0.0411	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0075	0.0758	0.2511
Loa Loa (eye worm)	hypothetical protein	0.0277	0.2984	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0051	0.0131
Brugia malayi	steroid hormone receptor	0.0011	0.0051	0.0131
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0051	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0051	0.0131
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0048	0.0455	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.022	0.3454
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.022	0.3454
Entamoeba histolytica	hypothetical protein	0.0039	0.0358	0.8663
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0051	0.0131
Brugia malayi	hypothetical protein	0.0039	0.0358	0.1163
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0051	0.0131
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0051	0.0131
Schistosoma mansoni	hypothetical protein	0.0075	0.0758	0.1832
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0051	0.0096
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0051	0.0131
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.004	0.037	0.0358
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0008	0.0012	0.0196
Schistosoma mansoni	hypothetical protein	0.0376	0.4084	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0051	0.0131
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0051	0.0096
Echinococcus granulosus	GPCR family 2	0.0035	0.0311	0.0734
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0051	0.0131
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0051	0.0096
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0311	0.0734
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0051	0.0131
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0358	0.0346
Loa Loa (eye worm)	hypothetical protein	0.002	0.0146	0.045
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.022	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0158	0.1676	0.4086
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0048	0.0455	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0311	0.1006
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0012	0.0196
Loa Loa (eye worm)	hypothetical protein	0.002	0.0146	0.045
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0051	0.0096
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0062	0.0614	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0012	0.0196
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0051	0.0096
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0062	0.0614	0.148
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.004	0.037	0.8965
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.037	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0051	0.0039
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0008	0.0012	0.0196
Brugia malayi	photoreceptor-specific nuclear receptor	0.0277	0.2984	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0311	0.0734
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.022	0.3454
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0012	0.0196
Loa Loa (eye worm)	hypothetical protein	0.011	0.1144	0.3808
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0051	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0051	0.0131
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0146	0.3016
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.022	0.5215
Loa Loa (eye worm)	hypothetical protein	0.0027	0.022	0.07
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0048	0.0455	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0012	0.0196
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0008	0.0012	0.0196
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0051	0.0096
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0051	0.0096

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: CHEMBL1824095

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1030493