TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 506.498 | Formula: C22H34O13
H donors: 9 H acceptors: 9 LogP: -2.16 Rotable bonds: 9
Rule of 5 violations (Lipinski): 3
SMILES: OC[C@H]1O[C@@H](O[C@H](CCc2ccc(cc2O)O)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
InChi: 1S/C22H34O13/c1-9(2-3-10-4-5-11(25)6-12(10)26)32-21-19(31)17(29)20(14(8-24)34-21)35-22-18(30)16(28)15(27)13(7-23)33-22/h4-6,9,13-31H,2-3,7-8H2,1H3/t9-,13+,14+,15+,16-,17+,18+,19+,20+,21+,22+/m0/s1
InChiKey: ZRDADUROYMLJRH-RFVFEKQVSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	tyrosinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tyrosinase precursor	Get druggable targets OG5_137498	All targets in OG5_137498
Schistosoma mansoni	tyrosinase precursor	Get druggable targets OG5_137498	All targets in OG5_137498
Schistosoma japonicum	ko:K00505 tyrosinase [EC1.14.18.1], putative	Get druggable targets OG5_137498	All targets in OG5_137498
Schistosoma japonicum	ko:K00505 tyrosinase [EC1.14.18.1], putative	Get druggable targets OG5_137498	All targets in OG5_137498

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
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0282	0.1722	1
Brugia malayi	Common central domain of tyrosinase family protein	0.0222	0.1343	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.1722	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0085	1
Brugia malayi	RNA, U transporter 1	0.0079	0.0442	0.3289
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0072	0.8452
Loa Loa (eye worm)	hypothetical protein	0.0222	0.1343	0.7393
Schistosoma mansoni	hypothetical protein	0.0016	0.0042	0.0106
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0042	0.0314
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0072	0.0395
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0257	0.1915
Onchocerca volvulus		0.0222	0.1343	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0282	0.1722	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0042	0.0106
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.1722	1
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0057	0.0331
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0057	0.0331
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.1722	1
Schistosoma mansoni	tyrosinase precursor	0.0639	0.397	1
Echinococcus multilocularis	snurportin 1	0.0297	0.1817	0.1817
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0221	0.1217
Schistosoma mansoni	membrane associated proteins in eicosanoid and glutathione metabolism family member	0.0481	0.2975	0.7494
Onchocerca volvulus		0.0222	0.1343	1
Brugia malayi	N-terminal motif family protein	0.0181	0.1082	0.8056
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0072	0.0395
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0138	0.0812	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0221	0.0557
Loa Loa (eye worm)	ShTK domain-containing protein	0.0222	0.1343	0.7393
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0072	0.0072
Schistosoma mansoni	ap endonuclease	0.0018	0.0057	0.0144
Schistosoma mansoni	hypothetical protein	0.0034	0.0158	0.0397
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0297	0.1817	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1082	0.5955
Toxoplasma gondii	MAPEG family protein	0.011	0.0637	1
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0072	0.1126
Trichomonas vaginalis	ran, putative	0.0021	0.0072	0.0417
Plasmodium falciparum	importin beta, putative	0.0028	0.0118	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0138	0.0812	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0057	0.4831
Brugia malayi	ShTK domain containing protein	0.0222	0.1343	1
Leishmania major	GTP-binding protein, putative	0.0021	0.0072	0.8452
Schistosoma mansoni	ap endonuclease	0.0018	0.0057	0.0144
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0222	0.1343	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0057	0.672
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0042	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0042	0.0232
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0085	0.0493
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0118	0.065
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0042	0.0042
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0221	0.1646
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0158	0.0868
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0221	0.0557
Schistosoma mansoni	hypothetical protein	0.0016	0.0042	0.0106
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0118	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0042	0.0042
Schistosoma mansoni	hypothetical protein	0.0297	0.1817	0.4577
Schistosoma mansoni	hypothetical protein	0.0168	0.1004	0.2528
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0118	0.0118
Loa Loa (eye worm)	tyrosinase 1	0.0222	0.1343	0.7393
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0138	0.0812	1
Loa Loa (eye worm)	hypothetical protein	0.0222	0.1343	0.7393
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0221	0.1217
Schistosoma mansoni	tyrosinase precursor	0.0639	0.397	1
Echinococcus multilocularis	microsomal glutathione S transferase 3	0.011	0.0637	0.0637
Onchocerca volvulus		0.0222	0.1343	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0118	0.065
Echinococcus granulosus	microsomal glutathione S transferase 3	0.011	0.0637	0.3508
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.1722	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0158	0.1174
Entamoeba histolytica	hypothetical protein	0.0023	0.0085	0.0493
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0057	0.0314
Entamoeba histolytica	Ran family GTPase	0.0021	0.0072	0.0417
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0118	1
Schistosoma mansoni	hypothetical protein	0.0168	0.1004	0.2528
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0221	0.1217
Schistosoma mansoni	importin beta-1	0.0028	0.0118	0.0298
Schistosoma mansoni	microsomal glutathione s-transferase	0.011	0.0637	0.1606
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0222	0.1343	1
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0072	0.6076
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0057	0.0703
Loa Loa (eye worm)	hypothetical protein	0.005	0.0257	0.1416
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0282	0.1722	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0057	0.672
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0057	0.0331
Echinococcus granulosus	snurportin 1	0.0297	0.1817	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0057	0.4831
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0222	0.1343	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0257	0.1416
Toxoplasma gondii	exonuclease III APE	0.0018	0.0057	0.0895
Treponema pallidum	fructose-bisphosphate aldolase	0.0282	0.1722	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0118	0.1853
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0221	0.0557
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0085	0.0493
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0057	0.4831
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0118	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0042	0.0232
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0181	0.1082	0.8056
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0072	0.0534
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0221	0.0221
Brugia malayi	Importin beta-1 subunit	0.0028	0.0118	0.0879
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0057	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0221	0.0221
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0085	0.0493
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0072	0.8452
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.1722	1
Schistosoma mansoni	ran	0.0021	0.0072	0.0181
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0072	0.0417
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.1722	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0222	0.1343	0.7393
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0057	0.0703
Schistosoma mansoni	hypothetical protein	0.0016	0.0042	0.0106
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0057	0.0314
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0222	0.1343	1
Schistosoma mansoni	ran	0.0021	0.0072	0.0181
Echinococcus granulosus	geminin	0.0168	0.1004	0.5523
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0042	0.0232
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.1722	1
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0057	0.0331
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0072	0.6076
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0257	0.1915
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0072	0.6076
Onchocerca volvulus		0.0222	0.1343	1
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0085	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0042	0.0314
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0057	0.672
Echinococcus multilocularis	geminin	0.0168	0.1004	0.1004
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0042	0.0042
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.1722	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0057	0.0057
Echinococcus granulosus	GPCR family 2	0.0016	0.0042	0.0232
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0057	0.0425

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4.13 uM	Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis	ChEMBL.	26386819

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: CHEMBL3618458

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 2093622