TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 542.703 | Formula: C32H46O7
H donors: 3 H acceptors: 6 LogP: 4.28 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@@H](C(=C)C(=O)[C@@H]([C@H]([C@H]1[C@@H](OC(=O)C)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2C[C@H]([C@@H]2[C@]3(C1)C=CC(=O)[C@H]2C)O)C)C)O)C
InChi: 1S/C32H46O7/c1-16(14-33)17(2)27(37)28(38)19(4)26-23(39-20(5)34)13-30(7)24-12-22(36)25-18(3)21(35)8-9-32(25)15-31(24,32)11-10-29(26,30)6/h8-9,16,18-19,22-26,28,33,36,38H,2,10-15H2,1,3-7H3/t16-,18+,19-,22+,23-,24-,25+,26-,28+,29+,30-,31-,32+/m0/s1
InChiKey: BSGPJBALTHTFJC-AOONZWGDSA-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
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0277	0.0467
Echinococcus granulosus	histone lysine methyltransferase setb	0.0028	0.0535	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0511	0.097
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0017	0.0241	0.0356
Schistosoma mansoni	hypothetical protein	0.0012	0.0126	0.0126
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0012	0.0126	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0241	0.041
Brugia malayi	metallopeptidase family M24 containing protein	0.0017	0.0241	0.0416
Mycobacterium ulcerans	methionine aminopeptidase	0.0133	0.3326	1
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.0133	0.3326	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Schistosoma mansoni	peptidase	0.0017	0.0241	0.0241
Brugia malayi	Methionine aminopeptidase protein type I	0.0133	0.3326	0.6819
Plasmodium vivax	methionine aminopeptidase 1a, putative	0.0133	0.3326	1
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0133	0.3326	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0012	0.0126	0.0126
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.003	0.058	0.1099
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0018	0.0277	1
Schistosoma mansoni	Xaa-Pro dipeptidase (M24 family)	0.0017	0.0241	0.0241
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0012	0.0126	0.0126
Toxoplasma gondii	methionine aminopeptidase, type i, putative	0.0133	0.3326	1
Echinococcus multilocularis	methionine aminopeptidase, type I	0.0017	0.0241	0.0241
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.1129	0.2259
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.1142	0.3171
Loa Loa (eye worm)	initiation factor 2-associated protein	0.0017	0.0241	0.041
Schistosoma mansoni	hypothetical protein	0.0012	0.0126	0.0126
Brugia malayi	hypothetical protein	0.0033	0.0664	0.1294
Onchocerca volvulus		0.0028	0.0535	0.0553
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0191	0.4858	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0052	0.1179	0.3042
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0012	0.0126	0.0126
Echinococcus granulosus	FACT complex subunit SPT16	0.0017	0.0241	0.0241
Trypanosoma brucei	Xaa-Pro aminopeptidase, putative	0.0017	0.0241	0.0356
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0133	0.3326	1
Echinococcus granulosus	xaa pro aminopeptidase	0.0017	0.0241	0.0241
Brugia malayi	initiation factor 2-associated protein.	0.0017	0.0241	0.0416
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.1129	0.1129
Schistosoma mansoni	hypothetical protein	0.0027	0.0511	0.0511
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0277	0.0467
Trichomonas vaginalis	set domain proteins, putative	0.0217	0.5555	1
Echinococcus granulosus	Xaa Pro aminopeptidase 3	0.0017	0.0241	0.0241
Brugia malayi	ImpB/MucB/SamB family protein	0.0018	0.0277	0.049
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0039	0.0842	0.1663
Trypanosoma brucei	Metallopeptidase family M24, putative	0.0017	0.0241	0.0356
Loa Loa (eye worm)	DNA-binding protein	0.0017	0.0241	0.041
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0017	0.0241	0.0356
Echinococcus granulosus	dna polymerase eta	0.0042	0.0912	0.0912
Trichomonas vaginalis	DNA polymerase eta, putative	0.0018	0.0277	0.0067
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0133	0.3326	1
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0017	0.0241	0.0241
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.0133	0.3326	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.1142	0.2919
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0018	0.0277	0.0115
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0133	0.3326	1
Brugia malayi	Pre-SET motif family protein	0.0191	0.4858	1
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0133	0.3326	0.3326
Echinococcus granulosus	cpg binding protein	0.0029	0.0553	0.0553
Brugia malayi	Pre-SET motif family protein	0.0028	0.0535	0.1026
Leishmania major	DNA polymerase eta, putative	0.0042	0.0912	0.2176
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0535	0.0535
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.1129	0.1129
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0277	0.0467
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0018	0.0277	0.0115
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0277	0.0467
Echinococcus multilocularis	xaa pro aminopeptidase	0.0017	0.0241	0.0241
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0018	0.0277	0.0115
Treponema pallidum	methionine aminopeptidase (map)	0.0133	0.3326	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0018	0.0277	0.0467
Echinococcus multilocularis	xaa Pro dipeptidase	0.0017	0.0241	0.0241
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0018	0.0277	0.0277
Schistosoma mansoni	aminopeptidase P1 (M24 family)	0.0017	0.0241	0.0241
Echinococcus multilocularis	GPCR, family 2	0.0012	0.0126	0.0126
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0018	0.0277	0.0277
Echinococcus granulosus	dna polymerase kappa	0.0018	0.0277	0.0277
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0018	0.0277	0.0115
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0039	0.0842	0.1663
Trypanosoma brucei	DNA polymerase eta, putative	0.0042	0.0912	0.2454
Trypanosoma cruzi	DNA polymerase eta, putative	0.0042	0.0912	0.2176
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0028	0.0535	0.0535
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0039	0.0842	0.1658
Brugia malayi	Latrophilin receptor protein 2	0.0012	0.0126	0.0178
Plasmodium falciparum	methionine aminopeptidase 1a, putative	0.0133	0.3326	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0241	0.041
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0026	0.0493	0.0493
Trypanosoma brucei	DNA polymerase IV, putative	0.0018	0.0277	0.0467
Echinococcus granulosus	xaa Pro dipeptidase	0.0017	0.0241	0.0241
Loa Loa (eye worm)	methionine aminopeptidase type I	0.0133	0.3326	0.6817
Mycobacterium ulcerans	DNA polymerase IV	0.0018	0.0277	0.0115
Mycobacterium ulcerans	DNA polymerase IV	0.0018	0.0277	0.0115
Echinococcus granulosus	GPCR family 2	0.0012	0.0126	0.0126
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.1142	0.2919
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0018	0.0277	0.0484
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0277	0.0467
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0277	0.0467
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0018	0.0277	0.0067
Echinococcus multilocularis	dnaJ subfamily B	0.0385	1	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0018	0.0277	0.0277
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0133	0.3326	1
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0133	0.3326	1
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.0133	0.3326	1
Echinococcus granulosus	Proliferation associated protein 2G4	0.0017	0.0241	0.0241
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.0133	0.3326	1
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0017	0.0241	0.0241
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0277	0.0467
Trypanosoma brucei	unspecified product	0.0018	0.0277	0.0467
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0277	0.0467
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0133	0.3326	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0126	0.0172
Echinococcus multilocularis	xaa Pro dipeptidase	0.0017	0.0241	0.0241
Schistosoma mansoni	hypothetical protein	0.0012	0.0126	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0241	0.041
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0912	0.1804
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.1142	0.2919
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0018	0.0277	0.0277
Toxoplasma gondii	methionine aminopeptidase	0.0133	0.3326	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0027	0.0511	0.0976
Echinococcus granulosus	methionine aminopeptidase type I	0.0017	0.0241	0.0241
Brugia malayi	DNA-binding protein, 42 kDa containing protein	0.0017	0.0241	0.0416
Toxoplasma gondii	methionine aminopeptidase	0.0133	0.3326	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0553	0.0553
Plasmodium vivax	SET domain protein, putative	0.0028	0.0535	0.0952
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1129	0.1129
Schistosoma mansoni	hypothetical protein	0.019	0.4847	0.4847
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0133	0.3326	1
Schistosoma mansoni	hypothetical protein	0.0385	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1129	0.1129
Brugia malayi	metallopeptidase family M24 containing protein	0.0017	0.0241	0.0416
Echinococcus multilocularis	Proliferation associated protein 2G4	0.0017	0.0241	0.0241
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.1142	0.2919
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0028	0.0535	0.0952
Trypanosoma brucei	DNA polymerase IV, putative	0.0018	0.0277	0.0467
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0535	0.0535
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0277	0.0467
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0133	0.3326	0.3326
Schistosoma mansoni	methionyl aminopeptidase 2 (M24 family)	0.0017	0.0241	0.0241
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0277	0.0467
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0133	0.3326	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0842	0.1658
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.1129	0.1129
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0133	0.3326	0.3326
Schistosoma mansoni	hypothetical protein	0.019	0.4847	0.4847
Leishmania major	DNA polymerase eta, putative	0.003	0.058	0.1099
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0012	0.0126	0.0126
Brugia malayi	metallopeptidase family M24 containing protein	0.0017	0.0241	0.0416
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0133	0.3326	0.3326
Trypanosoma brucei	methionine aminopeptidase, putative	0.0133	0.3326	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1129	0.1129
Schistosoma mansoni	chromatin-specific transcription elongation factor 140 kDa subunit (M24 family)	0.0017	0.0241	0.0241
Leishmania major	hypothetical protein, conserved	0.0051	0.1142	0.2919
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0018	0.0277	0.0115
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.0133	0.3326	0.3326
Trypanosoma brucei	Facilitates chromatin transcription complex subunit spt16	0.0017	0.0241	0.0356
Echinococcus granulosus	methionyl aminopeptidase 2	0.0017	0.0241	0.0241
Leishmania major	DNA polymerase kappa, putative	0.0018	0.0277	0.0115
Echinococcus granulosus	geminin	0.019	0.4847	0.4847
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0027	0.0512	0.0973
Brugia malayi	hypothetical protein	0.0051	0.1142	0.2285
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0012	0.0126	0.0172
Schistosoma mansoni	hypothetical protein	0.0012	0.0126	0.0126
Echinococcus multilocularis	methionyl aminopeptidase 2	0.0017	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1142	0.228
Brugia malayi	ImpB/MucB/SamB family protein	0.0042	0.0912	0.1809
Trypanosoma cruzi	DNA polymerase eta, putative	0.003	0.058	0.1099
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0535	0.102
Brugia malayi	CXXC zinc finger family protein	0.0027	0.0512	0.0978
Echinococcus multilocularis	dna polymerase eta	0.0042	0.0912	0.0912
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.1142	0.2919
Onchocerca volvulus		0.0027	0.0512	0.0509
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0028	0.0535	0.0535
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.1142	0.2919
Onchocerca volvulus		0.0217	0.5555	1
Echinococcus multilocularis	geminin	0.019	0.4847	0.4847
Schistosoma mansoni	cpg binding protein	0.0029	0.0553	0.0553
Echinococcus multilocularis	Xaa Pro aminopeptidase 3	0.0017	0.0241	0.0241
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0018	0.0277	0.0115
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0058	0.1342	0.1342
Chlamydia trachomatis	methionine aminopeptidase	0.0133	0.3326	1
Schistosoma mansoni	cpg binding protein	0.0027	0.0512	0.0512
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0028	0.0535	0.0535
Schistosoma mansoni	hypothetical protein	0.0023	0.0399	0.0399
Loa Loa (eye worm)	metallopeptidase family M24 containing protein	0.0017	0.0241	0.041
Echinococcus granulosus	xaa Pro dipeptidase	0.0017	0.0241	0.0241
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.1129	0.2254
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.1129	0.1129
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0399	0.0399
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0018	0.0277	0.0115
Trypanosoma brucei	methionine aminopeptidase 2, putative	0.0017	0.0241	0.0356
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0399	0.0399
Echinococcus multilocularis	cpg binding protein	0.0029	0.0553	0.0553
Echinococcus multilocularis	FACT complex subunit SPT16	0.0017	0.0241	0.0241
Echinococcus multilocularis	dna polymerase kappa	0.0018	0.0277	0.0277
Giardia lamblia	DINP protein human, muc B family	0.0018	0.0277	1
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0017	0.0241	0.0356
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.0017	0.0241	0.0241
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0535	0.0535
Schistosoma mansoni	DNA polymerase eta	0.0042	0.0912	0.0912

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: CHEMBL1941157

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 1594071