TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.468 | Formula: C25H24N2O6
H donors: 1 H acceptors: 4 LogP: 2.43 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COCCN1C(=O)C(=C(C21C(=O)N(c1c2cccc1)C)C(=O)c1ccc2c(c1)CC(O2)C)O
InChi: 1S/C25H24N2O6/c1-14-12-16-13-15(8-9-19(16)33-14)21(28)20-22(29)23(30)27(10-11-32-3)25(20)17-6-4-5-7-18(17)26(2)24(25)31/h4-9,13-14,29H,10-12H2,1-3H3
InChiKey: PKSSLOBCJQRYBS-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
Schistosoma mansoni	hypothetical protein	0.0033	0.0194	0.0195
Trypanosoma brucei	Peptide deformylase 2	0.0085	0.0936	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0256	0.0817
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.006	0.0569	0.0569
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0256	0.0817
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0256	0.0257
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0413	0.0733
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0256	0.0817
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0085	0.0936	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0256	0.2739
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0194	0.0345
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0256	0.0817
Onchocerca volvulus		0.0106	0.1226	0.1565
Plasmodium vivax	peptide deformylase, putative	0.0223	0.2905	1
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0256	0.0883
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0256	0.0398
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0256	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0256	0.0455
Loa Loa (eye worm)	hypothetical protein	0.0247	0.3235	0.5742
Brugia malayi	beta-lactamase family protein	0.0038	0.0256	0.0455
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0256	0.0398
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0399	0.0399
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0085	0.0936	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0256	0.2739
Trichomonas vaginalis	set domain proteins, putative	0.0472	0.645	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0256	0.0883
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.024	0.3139	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0399	0.0708
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0399	0.04
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0256	0.0256
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.006	0.0569	0.0569
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0399	0.04
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0399	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0256	0.0455
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.006	0.0569	0.196
Leishmania major	hypothetical protein, conserved	0.0038	0.0256	0.2739
Brugia malayi	MH2 domain containing protein	0.0125	0.1495	0.2654
Brugia malayi	hypothetical protein	0.0247	0.3235	0.5742
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0223	0.2905	1
Plasmodium vivax	SET domain protein, putative	0.006	0.0569	0.196
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0399	0.0399
Echinococcus multilocularis	tumor protein p63	0.0722	1	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.006	0.0569	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0194	0.0345
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0256	0.0817
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0256	0.0455
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0413	0.0733
Onchocerca volvulus		0.006	0.0569	0.0505
Schistosoma mansoni	cellular tumor antigen P53	0.0106	0.1226	0.1229
Mycobacterium ulcerans	peptide deformylase	0.0223	0.2905	1
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0256	0.0817
Treponema pallidum	polypeptide deformylase (def)	0.0223	0.2905	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0569	0.1011
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0223	0.2905	0.9256
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0256	0.0398
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0256	0.0883
Brugia malayi	Pre-SET motif family protein	0.006	0.0569	0.1011
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0256	0.0817
Schistosoma mansoni	hypothetical protein	0.005	0.0438	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1226	0.2176
Echinococcus multilocularis	survival motor neuron protein 1	0.0247	0.3235	0.3235
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0256	0.0817
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0256	0.0455
Chlamydia trachomatis	peptide deformylase	0.0223	0.2905	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0256	0.0455
Trichomonas vaginalis	esterase, putative	0.0038	0.0256	0.0398
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0223	0.2905	1
Onchocerca volvulus		0.005	0.0438	0.0293
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0415	0.5633	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.1495	0.2654
Brugia malayi	beta-lactamase family protein	0.0038	0.0256	0.0455
Toxoplasma gondii	ABC1 family protein	0.0038	0.0256	0.0883
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.0438	0.0778
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0256	0.0817
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0085	0.0936	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0256	0.0455
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0057	0.0538	0.0538
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0413	0.0733
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0256	0.0883
Echinococcus multilocularis	microtubule associated protein 2	0.072	0.9973	0.9973
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0413	0.0733
Brugia malayi	Pre-SET motif family protein	0.0415	0.5633	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0399	0.0708
Schistosoma mansoni	microtubule-associated protein tau	0.072	0.9973	1
Mycobacterium ulcerans	lipase LipD	0.0038	0.0256	0.0883
Plasmodium falciparum	peptide deformylase	0.0223	0.2905	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0256	0.2739
Echinococcus granulosus	survival motor neuron protein 1	0.0247	0.3235	0.3235
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0	0.5
Schistosoma mansoni	survival motor neuron protein	0.005	0.0438	0.0439
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0256	0.0455
Toxoplasma gondii	hypothetical protein	0.0223	0.2905	1
Trypanosoma brucei	Polypeptide deformylase 1	0.0085	0.0936	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.006	0.0569	0.0571
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0569	0.0571
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0256	0.0398
Onchocerca volvulus		0.0472	0.645	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0256	0.0257
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0399	0.0399
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0569	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0256	0.0455
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0256	0.0883
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0399	0.04
Brugia malayi	beta-lactamase	0.0038	0.0256	0.0455
Leishmania major	polypeptide deformylase-like protein, putative	0.0085	0.0936	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.1495	0.2654
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0085	0.0936	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0256	0.0398
Echinococcus granulosus	microtubule associated protein 2	0.072	0.9973	0.9973
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0256	0.0455
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0256	0.0817
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0569	0.0571

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 757191