TDR Targets

Basic information

Technical information

TDR Targets ID: 185139
Name: (5-butanoyloxy-9,10-dioxoanthracen-1-yl) buta noate
MW: 380.391 | Formula: C22H20O6
H donors: 0 H acceptors: 4 LogP: 4.03 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCC(=O)Oc1cccc2c1C(=O)c1c(C2=O)c(ccc1)OC(=O)CCC
InChi: 1S/C22H20O6/c1-3-7-17(23)27-15-11-5-9-13-19(15)21(25)14-10-6-12-16(20(14)22(13)26)28-18(24)8-4-2/h5-6,9-12H,3-4,7-8H2,1-2H3
InChiKey: FZQSLWJPOIBNIR-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

(5-butanoyloxy-9,10-dioxo-1-anthryl) butanoate
butanoic acid [9,10-dioxo-5-(1-oxobutoxy)-1-anthryl] ester
(5-butanoyloxy-9,10-dioxo-anthracen-1-yl) butanoate
butyric acid (5-butyryloxy-9,10-diketo-1-anthryl) ester

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)	beta-LACTamase domain containing family member	0.0036	0.0014	0.0374
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0072	0.0087	0.228
Brugia malayi	TAR-binding protein	0.007	0.0083	0.0114
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0083	0.2173
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0014	0.0374
Schistosoma mansoni	ets-related	0.022	0.0381	1
Mycobacterium ulcerans	DNA polymerase I	0.0229	0.04	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.004	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0014	0.0374
Onchocerca volvulus		0.0036	0.0014	0.0014
Trypanosoma cruzi	mitochondrial structure specific endonuclease I (SSE-1), putative	0.0163	0.0267	0.0946
Echinococcus granulosus	twinkle protein mitochondrial	0.0049	0.004	0.1263
Echinococcus multilocularis	geminin	0.0188	0.0318	1
Mycobacterium leprae	PROBABLE DNA POLYMERASE I POLA	0.0229	0.04	1
Trypanosoma cruzi	mitochondrial DNA polymerase I protein A, putative	0.0066	0.0075	0.0226
Plasmodium falciparum	5'-3' exonuclease, N-terminal resolvase-like domain, putative	0.0163	0.0267	0.0737
Trypanosoma brucei	mitochondrial DNA polymerase I protein A, putative	0.0066	0.0075	0.0226
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0014	0.0448
Plasmodium falciparum	telomerase reverse transcriptase	0.1374	0.269	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0072	0.15
Loa Loa (eye worm)	TAR-binding protein	0.007	0.0083	0.2173
Onchocerca volvulus	Huntingtin homolog	0.0136	0.0214	0.0214
Brugia malayi	hypothetical protein	0.0136	0.0214	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0214	0.5613
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.004	0.1261
Mycobacterium tuberculosis	Probable DNA polymerase I PolA	0.0229	0.04	0.9954
Leishmania major	mitochondrial DNA polymerase I protein A, putative	0.0066	0.0075	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0014	0.0374
Schistosoma mansoni	hypothetical protein	0.0038	0.0019	0.0505
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.004	0.1261
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0049	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0075	0.1962
Echinococcus multilocularis	tar DNA binding protein	0.007	0.0083	0.2604
Schistosoma mansoni	hypothetical protein	0.0049	0.004	0.1054
Trichomonas vaginalis	DNA polymerase I, putative	0.0066	0.0075	1
Brugia malayi	Ets-domain containing protein	0.0072	0.0087	0.012
Onchocerca volvulus		0.0036	0.0014	0.0014
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0014	0.0374
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0015	0.0021
Brugia malayi	DNA polymerase I family protein	0.0066	0.0075	0.0103
Leishmania major	mitochondrial structure specific endonuclease I (SSE-1), putative	0.0163	0.0267	0.0946
Mycobacterium ulcerans	5'-3' exonuclease	0.0163	0.0267	0.6565
Echinococcus granulosus	tar DNA binding protein	0.007	0.0083	0.2604
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0015	0.0398
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0049	0.0067
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0014	0.002
Schistosoma mansoni	hypothetical protein	0.0188	0.0318	0.8343
Onchocerca volvulus	Huntingtin homolog	0.0136	0.0214	0.0214
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0019	0.0605
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0065	0.0072	0.1494
Chlamydia trachomatis	DNA polymerase I	0.0229	0.04	0.5
Loa Loa (eye worm)	twinkle helicase	0.0049	0.004	0.1054
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0072	0.1891
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0083	0.2173
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.004	0.1052
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.004	0.1261
Schistosoma mansoni	DNA polymerase I	0.0066	0.0075	0.1962
Trypanosoma cruzi	mitochondrial DNA polymerase I protein A, putative	0.0066	0.0075	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0014	0.0374
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0072	0.15
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0019	0.0605
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.004	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0014	0.0374
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0065	0.0072	0.0216
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0072	0.15
Echinococcus multilocularis	GA binding protein alpha chain	0.0072	0.0087	0.2733
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0014	0.0374
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.0083	0.0114
Wolbachia endosymbiont of Brugia malayi	DNA polymerase I	0.0229	0.04	0.5
Schistosoma mansoni	gabp alpha	0.0072	0.0087	0.228
Toxoplasma gondii	DNA polymerase I domain-containing protein	0.0066	0.0075	0.0226
Loa Loa (eye worm)	fli-1 protein	0.022	0.0381	1
Brugia malayi	Ets-domain containing protein	0.0072	0.0087	0.012
Schistosoma mansoni	hypothetical protein	0.0049	0.004	0.1054
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0065	0.0072	0.2267
Onchocerca volvulus		0.0036	0.0014	0.0014
Loa Loa (eye worm)	RNA binding protein	0.007	0.0083	0.2173
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0014	0.0448
Plasmodium vivax	plastid replication-repair enzyme, putative	0.0066	0.0075	0.0226
Brugia malayi	Fli-1 protein	0.022	0.0381	0.0526
Schistosoma mansoni	hypothetical protein	0.0036	0.0015	0.0398
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.0083	0.2173
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0066	0.1731
Echinococcus multilocularis	twinkle protein, mitochondrial	0.0049	0.004	0.1263
Toxoplasma gondii	aldehyde dehydrogenase	0.0065	0.0072	0.0216
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0083	0.2173
Onchocerca volvulus	Twinkle protein, mitochondrial homolog	0.0049	0.004	0.004
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.004	0.1261
Mycobacterium tuberculosis	Probable 5'-3' exonuclease	0.0163	0.0267	0.6535
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0049	0.1282
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0083	0.2173
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0014	0.0374
Toxoplasma gondii	5'-3' exonuclease, N-terminal resolvase family domain-containing protein	0.008	0.0102	0.0327
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.1374	0.269	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0072	0.1891
Brugia malayi	hypothetical protein	0.0038	0.0019	0.0027
Brugia malayi	RNA binding protein	0.007	0.0083	0.0114
Trypanosoma brucei	mitochondrial structure specific endonuclease I (SSE-1), putative	0.0163	0.0267	0.0946
Toxoplasma gondii	helicase, putative	0.0066	0.0075	0.0226
Brugia malayi	beta-lactamase family protein	0.0036	0.0014	0.002
Echinococcus granulosus	geminin	0.0188	0.0318	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0214	0.5613
Treponema pallidum	DNA polymerase I (polA)	0.0229	0.04	0.5
Brugia malayi	beta-lactamase family protein	0.0036	0.0014	0.002
Giardia lamblia	Telomerase catalytic subunit	0.1374	0.269	0.5
Trypanosoma cruzi	mitochondrial structure specific endonuclease I (SSE-1), putative	0.0163	0.0267	0.0946
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.1374	0.269	1
Entamoeba histolytica	DNA-directed DNA polymerase, putative	0.0066	0.0075	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0065	0.0072	0.2267
Brugia malayi	Telomerase reverse transcriptase	0.3658	0.7253	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0049	0.1282
Plasmodium vivax	telomerase reverse transcriptase, putative	0.1374	0.269	1
Leishmania major	telomerase reverse transcriptase, putative	0.1374	0.269	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.004	0.1052
Toxoplasma gondii	RNA-directed DNA polymerase	0.1374	0.269	1
Trypanosoma brucei	telomerase reverse transcriptase	0.1374	0.269	1
Schistosoma mansoni	hypothetical protein	0.0188	0.0318	0.8343
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.0402	1
Brugia malayi	beta-lactamase	0.0036	0.0014	0.002
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0019	0.0505
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.004	0.1052
Plasmodium vivax	5'-3' exonuclease, N-terminal resolvase-like domain, putative	0.0163	0.0267	0.0946
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0083	0.2173
Echinococcus granulosus	GA binding protein alpha chain	0.0072	0.0087	0.2733
Trypanosoma brucei	mitochondrial DNA polymerase I protein A, putative	0.0066	0.0075	0.0226
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0014	0.0374

Activities

Activity type	Activity value	Assay description	Source	Reference
Relative SEAP activity (functional)	= 107 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 2.6 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 107 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 2.6 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 111 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 260.0 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 111 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 260.0 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 114 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 2.6 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 114 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 2.6 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 118 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 26 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 118 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 26 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 119 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in immortalized hTERT-BJI at 26 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 119 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in immortalized hTERT-BJI at 26 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 134 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in immortalized hTERT-BJI at 260.0 microM concentration	ChEMBL.	12852760
Relative SEAP activity (functional)	= 134 %	Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in immortalized hTERT-BJI at 260.0 microM concentration	ChEMBL.	12852760
Relative viability (functional)	= 85 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in immortalized hTERT-BJI at 260.0 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 85 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in immortalized hTERT-BJI at 260.0 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 87 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 260.0 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 87 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 260.0 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 106 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 26 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 106 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in immortalized hTERT-BJI at 26 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 106 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 26 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 106 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in immortalized hTERT-BJI at 26 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 107 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 2.6 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 107 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 2.6 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 109 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 2.6 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760
Relative viability (functional)	= 109 %	hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 2.6 microM concentration and level of cell viability determined in MTT assay	ChEMBL.	12852760

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

PubChem: 10872601

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 185139