TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 486.514 | Formula: C25H30N2O8
H donors: 1 H acceptors: 3 LogP: 0.99 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)N1c2c(OC)cccc2[C@]23[C@@]41CC[C@]15[C@@H]([C@@]4(O)C(=O)OC)O[C@H](N([C@H]31)CC2)C[C@H]5OC
InChi: 1S/C25H30N2O8/c1-31-14-7-5-6-13-17(14)27(21(29)34-4)24-9-8-22-15(32-2)12-16(26-11-10-23(13,24)18(22)26)35-19(22)25(24,30)20(28)33-3/h5-7,15-16,18-19,30H,8-12H2,1-4H3/t15-,16+,18+,19+,22-,23-,24+,25-/m1/s1
InChiKey: UYCLHXRXVKWWPD-LWNBEBGRSA-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	0.0065	0.1572	0.1342
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0127	0.3575	0.3343
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0326	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0326	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0065	0.1572	0.1267
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0065	0.1572	0.1267
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0717	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0686	0.9145
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0036	0.0642	0.0388
Brugia malayi	Latrophilin receptor protein 2	0.0065	0.1572	0.1572
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.1521	0.1214
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0686	0.2023
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0685	0.0348
Plasmodium falciparum	flap endonuclease 1	0.0027	0.0349	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0151	0.4333	0.422
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0717	1
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0686	0.9262
Brugia malayi	latrophilin 2 splice variant baaae	0.0141	0.4011	0.4011
Trypanosoma cruzi	ISWI complex protein	0.0033	0.0522	0.5411
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0717	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0048	0.102	0.0695
Trypanosoma brucei	ISWI complex protein	0.0033	0.0522	0.5411
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2271	0.2117
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.3236	0.3101
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0686	0.9145
Schistosoma mansoni	hypothetical protein	0.0065	0.1572	0.1342
Loa Loa (eye worm)	bromodomain containing protein	0.0038	0.0685	0.0498
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0076	0.1941	0.1649
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.3236	0.3101
Echinococcus multilocularis	zinc finger protein	0.0042	0.0816	0.0484
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0686	0.0149
Onchocerca volvulus		0.0038	0.0686	0.5
Loa Loa (eye worm)	hypothetical protein	0.0206	0.6113	0.6035
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0686	0.0149
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0642	0.0388
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0079	0.2019	0.173
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0065	0.1572	0.1572
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1521	0.6264
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0291	0.0097
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0052	0.114	0.0833
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0241	0.724	1
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0717	0.0465
Schistosoma mansoni	zinc finger protein	0.0042	0.0816	0.0566
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0052	0.114	0.0833
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.1521	0.7117
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0079	0.2019	0.173
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.0717	0.0236
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0079	0.2019	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.1521	0.129
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0206	0.6113	0.6113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0326	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0076	0.1941	0.1649
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0717	1
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0717	0.0381
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0326	1	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0036	0.0642	0.0304
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0686	0.2023
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0686	0.9145
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0079	0.2019	1
Schistosoma mansoni	hypothetical protein	0.0065	0.1572	0.1342
Brugia malayi	hypothetical protein	0.0025	0.0291	0.0291
Entamoeba histolytica	hypothetical protein	0.0038	0.0685	0.9121
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0348	0.0328
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0686	0.0686
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0686	0.0149
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0686	0.0349
Leishmania major	hypothetical protein, conserved	0.0038	0.0686	0.3209
Echinococcus granulosus	fetal alzheimer antigen falz	0.0048	0.102	0.0695
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0686	0.0149
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0035	0.0586	0.1428
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0685	0.0348
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.1521	0.1404
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0717	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.0348	0.0328
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0079	0.2019	0.5
Schistosoma mansoni	hypothetical protein	0.0038	0.0685	0.0432
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0686	0.2284
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0048	0.102	0.0776
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0717	0.2466
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0079	0.2019	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0686	0.9145
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0686	0.05
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0717	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0065	0.1572	0.1403
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0065	0.1572	0.1267
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0027	0.0349	0.0472
Brugia malayi	MH2 domain containing protein	0.0117	0.3236	0.3236
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0642	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2403	0.2251
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0686	0.05
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0036	0.0642	0.0388
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0052	0.114	0.4744
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2108	0.1951
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0206	0.6113	0.6113
Brugia malayi	Bromodomain containing protein	0.016	0.4628	0.4628
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0686	0.9145
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0326	1	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0052	0.114	0.082
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0717	0.3465
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0686	0.0432
Echinococcus multilocularis	GPCR, family 2	0.0065	0.1572	0.1267
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0065	0.1572	0.1267
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0717	0.0381
Loa Loa (eye worm)	inositol-1	0.0039	0.0717	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0686	0.05
Schistosoma mansoni	hypothetical protein	0.0033	0.0522	0.0264
Entamoeba histolytica	hypothetical protein	0.0038	0.0685	0.9121
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0642	0.0388
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0079	0.2019	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0079	0.2019	0.1802
Loa Loa (eye worm)	hypothetical protein	0.0141	0.4011	0.3891
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0326	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0206	0.6113	0.6035
Toxoplasma gondii	ABC1 family protein	0.0038	0.0686	0.2284
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0079	0.2019	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.2019	0.1859
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0642	0.0455
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0686	0.05
Loa Loa (eye worm)	PHD-finger family protein	0.0044	0.0889	0.0706
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0686	0.0432
Echinococcus granulosus	GPCR family 2	0.0065	0.1572	0.1267
Schistosoma mansoni	hypothetical protein	0.0044	0.0889	0.0641
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1521	0.6264
Echinococcus granulosus	zinc finger protein	0.0042	0.0816	0.0484
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0079	0.2019	1
Brugia malayi	beta-lactamase	0.0038	0.0686	0.0686
Entamoeba histolytica	hypothetical protein	0.0038	0.0685	0.9121
Brugia malayi	beta-lactamase family protein	0.0038	0.0686	0.0686
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0685	0.0432
Brugia malayi	Probable ClpP-like protease	0.0079	0.2019	0.2019
Plasmodium vivax	flap endonuclease 1, putative	0.0027	0.0349	0.0336
Trypanosoma cruzi	ISWI complex protein	0.0033	0.0522	0.5411
Schistosoma mansoni	hypothetical protein	0.0141	0.4011	0.3848
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0027	0.0349	0.0336
Leishmania major	hypothetical protein, conserved	0.0033	0.0522	0.1875
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0717	0.0465
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0686	0.05
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1572	0.1403
Loa Loa (eye worm)	flap endonuclease-1	0.0027	0.0349	0.0156
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0036	0.0642	0.0304
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1521	0.6264
Schistosoma mansoni	zinc finger protein	0.0033	0.0522	0.0264
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.1521	0.1214
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0326	1	1
Giardia lamblia	Flap structure-specific endonuclease	0.0027	0.0349	0.5
Brugia malayi	hypothetical protein	0.0038	0.0685	0.0685
Brugia malayi	PHD-finger family protein	0.0053	0.1183	0.1183
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0717	1
Brugia malayi	Inositol-1	0.0039	0.0717	0.0717
Toxoplasma gondii	hypothetical protein	0.0027	0.0348	0.0328
Brugia malayi	Bromodomain containing protein	0.0082	0.2104	0.2104
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0196	0.0196
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0686	0.0149
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0079	0.2019	1
Brugia malayi	Flap endonuclease-1	0.0027	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0686	0.05
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0686	0.05
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0027	0.0349	0.1362
Entamoeba histolytica	hypothetical protein	0.0038	0.0685	0.9121
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0686	0.0149
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0686	0.0149
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0686	0.0149
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.1521	0.129
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.1521	1
Echinococcus granulosus	peptidase Clp S14 family	0.0052	0.114	0.082
Trichomonas vaginalis	esterase, putative	0.0038	0.0686	0.9145
Onchocerca volvulus		0.0038	0.0686	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0642	0.0304
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0079	0.2019	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0686	0.9262
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0079	0.2019	0.5
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0027	0.0349	0.1362
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0127	0.3575	0.3343
Onchocerca volvulus		0.0038	0.0686	0.5
Schistosoma mansoni	hypothetical protein	0.0065	0.1572	0.1342
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0686	0.05
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0686	0.0149
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0686	0.9262
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0686	0.0349
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0326	1	1
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0686	0.0149
Brugia malayi	beta-lactamase family protein	0.0038	0.0686	0.0686
Schistosoma mansoni	bromodomain containing protein	0.0135	0.3822	0.3654
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0079	0.2019	1

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: CHEMBL516053

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1013577