TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 472.622 | Formula: C29H36N4O2
H donors: 2 H acceptors: 0 LogP: 4.44 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: C(COc1ccc(cc1)C1=NC2C(N1)CCCC2)COc1ccc(cc1)C1=NC2C(N1)CCCC2
InChi: 1S/C29H36N4O2/c1-2-7-25-24(6-1)30-28(31-25)20-10-14-22(15-11-20)34-18-5-19-35-23-16-12-21(13-17-23)29-32-26-8-3-4-9-27(26)33-29/h10-17,24-27H,1-9,18-19H2,(H,30,31)(H,32,33)
InChiKey: ZOHHQEWXIQMIAL-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	Nuclear hormone receptor family member nhr-19	0.0021	0.0345	0.0217
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0345	0.0217
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0345	0.0228
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0345	0.0217
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0345	0.0217
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.1027	0.0953
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0015	0.0131	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0345	0.0217
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0345	0.0217
Trichomonas vaginalis	antibiotic synthetase, putative	0.0015	0.0131	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0345	0.0217
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0345	0.0228
Onchocerca volvulus	Bile acid receptor homolog	0.0021	0.0345	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0345	0.0228
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1301	0.1244
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0345	0.0217
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0345	0.0228
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0345	0.0217
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0015	0.0131	0.0139
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0345	0.0217
Leishmania major	fatty acid transporter protein-like protein	0.025	0.9406	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0345	0.0217
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0015	0.0131	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0345	0.0228
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0345	0.0217
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0345	0.0228
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0345	0.0228
Brugia malayi	nuclear hormone receptor	0.0021	0.0345	0.0217
Schistosoma mansoni	FFA transport protein	0.0254	0.9536	1
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0345	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0345	0.0217
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0254	0.9536	1
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.025	0.9406	1
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.1027	0.0953
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0015	0.0131	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1301	0.1244
Schistosoma mansoni	hypothetical protein	0.0038	0.1027	0.0953
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0345	0.0217
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0345	0.0228
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0015	0.0131	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0345	0.0217
Brugia malayi	hypothetical protein	0.0038	0.1027	0.0908
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0345	0.0217
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0345	0.0228
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0345	0.0228
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0015	0.0131	0.0139
Entamoeba histolytica	hypothetical protein	0.0038	0.1027	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1301	0.1244
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0015	0.0131	0.0139
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0015	0.0131	0.0139
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0254	0.9536	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.025	0.9406	1
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0254	0.9536	1
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0254	0.9536	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0345	0.0228
Entamoeba histolytica	hypothetical protein	0.0038	0.1027	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1301	0.1244
Schistosoma mansoni	coup transcription factor	0.0021	0.0345	0.0228
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.1027	0.0953
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0015	0.0131	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1301	0.1244
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0345	0.0228
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0345	0.0217
Entamoeba histolytica	hypothetical protein	0.0038	0.1027	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0345	0.0228
Trichomonas vaginalis	antibiotic synthetase, putative	0.0015	0.0131	0.5
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0131	0.0139
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0345	0.0228
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0345	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0345	0.0217
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0345	0.0217
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0345	0.0228
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0345	0.0228
Toxoplasma gondii	propionate-CoA ligase	0.0015	0.0131	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0345	0.0228
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0345	0.0217
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0345	0.0217
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0131	0.0139
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0345	0.0228
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0021	0.0345	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0345	0.0228
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1301	0.1186
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0345	0.0217
Onchocerca volvulus		0.0021	0.0345	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0345	0.0217
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0345	0.0217
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0345	0.0228
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1301	0.1244
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0015	0.0131	0.0139
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0345	0.0217
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0345	0.0228
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1301	0.1244
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0345	0.0228
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0131	0.0139
Brugia malayi	ecdysteroid receptor	0.0021	0.0345	0.0217
Entamoeba histolytica	hypothetical protein	0.0038	0.1027	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0345	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0345	0.0217
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0345	0.0217
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0345	0.0228
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0015	0.0131	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0345	0.0217
Onchocerca volvulus	Protein ultraspiracle homolog	0.0021	0.0345	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1301	0.1186
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0345	0.0228
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0015	0.0131	0.0139
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0345	0.0217
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0015	0.0131	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0345	0.0217
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0345	0.0228
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0015	0.0131	0.0139
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0131	0.0139
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0345	0.0217
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0345	0.0228
Brugia malayi	steroid hormone receptor	0.0021	0.0345	0.0217
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0131	0.0139
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0345	0.0228
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0345	0.0217
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0345	0.0228

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: CHEMBL580407

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1079477