TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 436.457 | Formula: C24H24N2O6
H donors: 1 H acceptors: 4 LogP: 2.33 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COCCN1C(=O)C(=C(C21C(=O)N(c1c2cccc1)C)C(=O)c1ccc(c(c1)C)OC)O
InChi: 1S/C24H24N2O6/c1-14-13-15(9-10-18(14)32-4)20(27)19-21(28)22(29)26(11-12-31-3)24(19)16-7-5-6-8-17(16)25(2)23(24)30/h5-10,13,28H,11-12H2,1-4H3
InChiKey: QFVSVPWUQBQDEM-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
Loa Loa (eye worm)	hypothetical protein	0.002	0.0094	0.0027
Echinococcus granulosus	sterol regulatory element binding protein	0.0046	0.2011	0.2011
Loa Loa (eye worm)	hypothetical protein	0.0107	0.6572	1
Schistosoma mansoni	hypothetical protein	0.0044	0.1887	0.2819
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.2294	0.3427
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.1184	0.1184
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0215	0.0321
Echinococcus multilocularis	nibrin	0.002	0.0094	0.0094
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0215	0.0215
Schistosoma mansoni	hypothetical protein	0.0044	0.1887	0.2819
Schistosoma mansoni	bromodomain containing protein	0.0061	0.3165	0.4727
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0109	0.6695	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0094	0.0027
Echinococcus granulosus	Protein patched homolog 1	0.0046	0.2011	0.2011
Loa Loa (eye worm)	hypothetical protein	0.0046	0.2011	0.2978
Brugia malayi	Niemann-Pick C1 protein precursor	0.0107	0.6572	1
Trypanosoma cruzi	hypothetical protein, conserved	0.002	0.0094	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1671	0.2454
Echinococcus granulosus	nibrin	0.002	0.0094	0.0094
Chlamydia trachomatis	DNA ligase	0.002	0.0094	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.1184	0.1184
Trypanosoma cruzi	FHA domain containing protein, putative	0.002	0.0094	0.5
Schistosoma mansoni	topbp1	0.002	0.0094	0.0141
Echinococcus multilocularis	protein patched	0.0046	0.2011	0.2011
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0107	0.6572	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.2294	0.2294
Brugia malayi	Bromodomain containing protein	0.0073	0.4014	0.6051
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.002	0.0094	0.5
Brugia malayi	CHE-14 protein	0.0046	0.2011	0.2959
Echinococcus multilocularis	sterol regulatory element binding protein	0.0046	0.2011	0.2011
Echinococcus granulosus	replication factor c subunit 1	0.002	0.0094	0.0094
Echinococcus multilocularis	expressed conserved protein	0.0101	0.6087	0.6087
Schistosoma mansoni	DNA ligase IV	0.002	0.0094	0.0141
Loa Loa (eye worm)	hypothetical protein	0.004	0.1532	0.2242
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2782	0.4166
Trypanosoma cruzi	hypothetical protein, conserved	0.002	0.0094	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.2294	0.2294
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.2294	0.3396
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.002	0.0094	0.5
Schistosoma mansoni	patched 1	0.0046	0.2011	0.3003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.2294	0.3427
Schistosoma mansoni	hypothetical protein	0.002	0.0077	0.0114
Echinococcus multilocularis	replication factor c subunit 1	0.002	0.0094	0.0094
Brugia malayi	Bromodomain containing protein	0.0037	0.1356	0.1948
Echinococcus granulosus	expressed conserved protein	0.0101	0.6087	0.6087
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0215	0.0215
Echinococcus multilocularis	protein dispatched 1	0.0052	0.2495	0.2495
Brugia malayi	PHD-finger family protein	0.0024	0.0386	0.0451
Schistosoma mansoni	topbp1	0.002	0.0094	0.0141
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.2294	0.2294
Loa Loa (eye worm)	hypothetical protein	0.0069	0.3704	0.5585
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.2294	0.2294
Echinococcus granulosus	Niemann Pick C1 protein	0.0107	0.6572	0.6572
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.2294	0.3414
Toxoplasma gondii	ATPase, AAA family protein	0.002	0.0094	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0094	0.0027
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.002	0.0094	0.5
Plasmodium vivax	replication factor C subunit 1, putative	0.002	0.0094	0.5
Schistosoma mansoni	hypothetical protein	0.0044	0.1887	0.2819
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0046	0.2011	0.2978
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.2011	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.2906	0.2906
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1361	0.1978
Schistosoma mansoni	chromosome transmission fidelity factor	0.002	0.0094	0.0141
Loa Loa (eye worm)	hypothetical protein	0.002	0.0094	0.0027
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.2906	0.2906
Onchocerca volvulus		0.002	0.0094	0.5
Treponema pallidum	DNA ligase (lig)	0.002	0.0094	0.5
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.002	0.0094	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0094	0.0027
Giardia lamblia	Replication factor C, subunit 1	0.002	0.0094	0.5
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.002	0.0094	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.0107	0.6572	0.6572
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.002	0.0094	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.0153	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.2294	0.3427
Loa Loa (eye worm)	hypothetical protein	0.002	0.0094	0.0027
Schistosoma mansoni	hypothetical protein	0.0044	0.1887	0.2819
Plasmodium falciparum	replication factor C subunit 1, putative	0.002	0.0094	0.5

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 757189