TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 384.512 | Formula: C23H32N2O3
H donors: 1 H acceptors: 1 LogP: 3.11 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OCCC1CN(CCN1Cc1ccccc1C)Cc1ccc(c(c1)OC)OC
InChi: 1S/C23H32N2O3/c1-18-6-4-5-7-20(18)16-25-12-11-24(17-21(25)10-13-26)15-19-8-9-22(27-2)23(14-19)28-3/h4-9,14,21,26H,10-13,15-17H2,1-3H3
InChiKey: VHCXWULZPZTRCO-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
Mycobacterium ulcerans	acyl-CoA synthetase	0.0064	0.016	0.1448
Entamoeba histolytica	hypothetical protein	0.022	0.1101	1
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0064	0.016	0.1448
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0253	0.0698
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0064	0.016	0.1448
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0379	0.2057	0.2054
Brugia malayi	cytoplasmic intermediate filament protein	0.0043	0.0037	0.0103
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0064	0.016	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0217	0.1081	0.9785
Onchocerca volvulus		0.0064	0.016	0.1227
Brugia malayi	AMP-binding enzyme family protein	0.0217	0.1081	0.2977
Echinococcus multilocularis	musashi	0.008	0.0262	0.0258
Brugia malayi	Intermediate filament tail domain containing protein	0.008	0.0262	0.0723
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0217	0.1081	1
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0064	0.016	0.1275
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0064	0.016	0.1448
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0005	0.0013
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0064	0.016	0.1275
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0751	0.207
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0217	0.1081	0.9785
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0005	0.0013
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0064	0.016	1
Schistosoma mansoni	tar DNA-binding protein	0.064	0.363	0.9146
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0064	0.016	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0217	0.1081	1
Brugia malayi	AMP-binding enzyme family protein	0.0064	0.016	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0751	0.207
Entamoeba histolytica	hypothetical protein	0.022	0.1101	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0103	0.0283
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.022	0.1101	0.1097
Mycobacterium ulcerans	acyl-CoA synthetase	0.0064	0.016	0.1448
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0064	0.016	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0064	0.016	0.1275
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0217	0.1081	0.8807
Echinococcus granulosus	intermediate filament protein	0.008	0.0262	0.0258
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0162	0.0751	0.6939
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.0514	0.1415
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0164	0.0767	0.2114
Mycobacterium ulcerans	acyl-CoA synthetase	0.0064	0.016	0.1448
Brugia malayi	AMP-binding enzyme family protein	0.0064	0.016	0.0442
Onchocerca volvulus		0.0064	0.016	0.1227
Brugia malayi	AMP-binding enzyme family protein	0.0217	0.1081	0.2977
Onchocerca volvulus		0.008	0.0262	0.2029
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0153	0.0698	0.5676
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0162	0.0751	0.6111
Loa Loa (eye worm)	TAR-binding protein	0.064	0.363	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0153	0.0698	0.5676
Brugia malayi	beta-lactamase	0.0038	0.0005	0.0013
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0217	0.1081	0.9785
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0064	0.016	0.1448
Mycobacterium ulcerans	acyl-CoA synthetase	0.0064	0.016	0.1448
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0064	0.016	0.1448
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0064	0.016	0.0442
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0103	0.0283
Mycobacterium ulcerans	acyl-CoA synthetase	0.0217	0.1081	1
Echinococcus multilocularis	microtubule associated protein 2	0.0696	0.3968	0.3966
Echinococcus multilocularis	tar DNA binding protein	0.064	0.363	0.3627
Plasmodium vivax	acyl-CoA synthetase, putative	0.0162	0.0751	1
Entamoeba histolytica	hypothetical protein	0.022	0.1101	1
Brugia malayi	AMP-binding enzyme family protein	0.0064	0.016	0.0442
Entamoeba histolytica	hypothetical protein	0.022	0.1101	1
Loa Loa (eye worm)	intermediate filament protein	0.008	0.0262	0.0723
Onchocerca volvulus		0.0064	0.016	0.1227
Brugia malayi	intermediate filament protein	0.008	0.0262	0.0723
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0064	0.016	0.0442
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0064	0.016	0.1448
Leishmania major	acetyl-CoA synthetase, putative	0.0064	0.016	0.1448
Echinococcus multilocularis	lamin dm0	0.008	0.0262	0.0258
Schistosoma mansoni	tar DNA-binding protein	0.064	0.363	0.9146
Loa Loa (eye worm)	hypothetical protein	0.008	0.0262	0.0723
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0241	0.1226	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0003	0.0008
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0153	0.0698	0.5676
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0005	0.0013
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0064	0.016	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0005	0.0012
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0039	0.0012	0.0007
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0005	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0005	0.0013
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0064	0.016	0.1275
Mycobacterium ulcerans	acyl-CoA synthetase	0.0064	0.016	0.1448
Onchocerca volvulus		0.0095	0.035	0.2722
Schistosoma mansoni	transcription factor LCR-F1	0.022	0.1101	0.2774
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0064	0.016	0.1448
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0153	0.0698	0.5676
Brugia malayi	MH2 domain containing protein	0.0122	0.0514	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0003	0.0008
Plasmodium falciparum	acyl-CoA synthetase	0.0162	0.0751	1
Onchocerca volvulus		0.0064	0.016	0.1227
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0064	0.016	0.0442
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0409	0.2241	0.2237
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.0514	0.1415
Onchocerca volvulus		0.0249	0.1274	1
Echinococcus multilocularis	lamin	0.008	0.0262	0.0258
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0064	0.016	1
Loa Loa (eye worm)	oxidoreductase	0.0064	0.016	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0064	0.016	0.0442
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.064	0.363	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0751	0.207
Schistosoma mansoni	tar DNA-binding protein	0.064	0.363	0.9146
Leishmania major	acetyl-CoA synthetase, putative	0.0064	0.016	0.1448
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0162	0.0751	0.5
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0064	0.016	0.1448
Leishmania major	4-coumarate:coa ligase-like protein	0.0217	0.1081	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0164	0.0767	0.0763
Mycobacterium ulcerans	acyl-CoA synthetase	0.0064	0.016	0.1448
Brugia malayi	RNA binding protein	0.064	0.363	1
Schistosoma mansoni	thyroid hormone receptor	0.0409	0.2241	0.5646
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0064	0.016	0.1448
Schistosoma mansoni	hypothetical protein	0.0379	0.2057	0.5185
Echinococcus granulosus	microtubule associated protein 2	0.0696	0.3968	0.3966
Trichomonas vaginalis	antibiotic synthetase, putative	0.0064	0.016	1
Loa Loa (eye worm)	hypothetical protein	0.0249	0.1274	0.351
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0064	0.016	0.1275
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0055	0.0107	0.084
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0064	0.016	0.1448
Echinococcus granulosus	lamin	0.008	0.0262	0.0258
Leishmania major	4-coumarate:coa ligase-like protein	0.0217	0.1081	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0217	0.1081	1
Schistosoma mansoni	intermediate filament proteins	0.008	0.0262	0.0661
Onchocerca volvulus		0.0217	0.1081	0.8477
Echinococcus granulosus	tar DNA binding protein	0.064	0.363	0.3627
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0064	0.016	0.1275
Brugia malayi	RNA recognition motif domain containing protein	0.064	0.363	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0039	0.0012	0.0007
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0064	0.016	0.0156
Brugia malayi	hypothetical protein	0.022	0.1101	0.3033
Mycobacterium ulcerans	acyl-CoA synthetase	0.0217	0.1081	1
Brugia malayi	AMP-binding enzyme family protein	0.0064	0.016	0.0442
Onchocerca volvulus		0.008	0.0262	0.2029
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0164	0.0767	0.2114
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0064	0.016	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0379	0.2057	0.2054
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0064	0.016	0.2086
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0217	0.1081	0.8807
Brugia malayi	AMP-binding enzyme family protein	0.0217	0.1081	0.2977
Schistosoma mansoni	lamin	0.008	0.0262	0.0661
Schistosoma mansoni	tar DNA-binding protein	0.064	0.363	0.9146
Brugia malayi	beta-lactamase family protein	0.0038	0.0005	0.0013
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0064	0.016	0.1275
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0064	0.016	0.1448
Echinococcus multilocularis	tumor protein p63	0.1699	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0005	0.0013
Schistosoma mansoni	acetyl-CoA synthetase	0.0064	0.016	0.0404
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.0767	0.0763
Schistosoma mansoni	alpha-glucosidase	0.0142	0.0629	0.1586
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0064	0.016	0.1275
Mycobacterium ulcerans	hypothetical protein	0.0217	0.1081	1
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0064	0.016	0.0442
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0005	0.0012
Echinococcus granulosus	lamin dm0	0.008	0.0262	0.0258
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0005	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0103	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1081	0.2977
Mycobacterium ulcerans	acyl-CoA synthetase	0.0217	0.1081	1
Schistosoma mansoni	tar DNA-binding protein	0.064	0.363	0.9146
Schistosoma mansoni	microtubule-associated protein tau	0.0696	0.3968	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0217	0.1081	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0012	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0751	0.207
Schistosoma mansoni	cellular tumor antigen P53	0.0249	0.1274	0.321
Schistosoma mansoni	hypothetical protein	0.022	0.1101	0.2774
Loa Loa (eye worm)	RNA binding protein	0.064	0.363	1
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1081	0.2977
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0064	0.016	0.1275
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0064	0.016	0.1275
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0064	0.016	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0217	0.1081	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0064	0.016	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0064	0.016	0.1448
Schistosoma mansoni	lamin	0.008	0.0262	0.0661
Brugia malayi	beta-lactamase family protein	0.0038	0.0005	0.0013
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0217	0.1081	1
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1081	0.2977
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.0767	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0751	0.207
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.008	0.0262	0.0723
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0064	0.016	0.1275
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0064	0.016	0.1448
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0064	0.016	0.1448
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0043	0.0037	0.0103
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.022	0.1101	0.1097
Toxoplasma gondii	propionate-CoA ligase	0.0064	0.016	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0064	0.016	0.1448
Schistosoma mansoni	alpha-glucosidase	0.0142	0.0629	0.1586
Brugia malayi	TAR-binding protein	0.064	0.363	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.016	0.0442
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0217	0.1081	1
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0064	0.016	0.0156
Schistosoma mansoni	thyroid hormone receptor	0.0409	0.2241	0.5646
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0005	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0005	0.0013
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0103	0.0283

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 760808