TDR Targets

Basic information

Technical information

TDR Targets ID: 1009425
Name: (4S,4aR,10R,10aR)-4,10-dihydroxy-2,2-dimethyl -4,4a,10,10a-tetrahydro-3H-benzo[g]chromen-5- one
MW: 262.301 | Formula: C15H18O4
H donors: 2 H acceptors: 3 LogP: 0.64 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O[C@H]1CC(C)(C)O[C@@H]2[C@@H]1C(=O)c1c([C@H]2O)cccc1
InChi: 1S/C15H18O4/c1-15(2)7-10(16)11-12(17)8-5-3-4-6-9(8)13(18)14(11)19-15/h3-6,10-11,13-14,16,18H,7H2,1-2H3/t10-,11-,13+,14+/m0/s1
InChiKey: QSWYLDYQGGURJS-CDGCEXEKSA-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	0.0137	0.6831	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0021	0.0062	1
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.263	0.3851
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.2798	1
Onchocerca volvulus	Huntingtin homolog	0.0137	0.6831	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0192	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0117	0.5626	0.5626
Schistosoma mansoni	hypothetical protein	0.0174	0.8966	0.8966
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.2798	0.4096
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0117	0.5626	0.5626
Brugia malayi	chromobox protein homolog 3	0.0038	0.1062	0.1555
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0117	0.5626	0.5626
Schistosoma mansoni	aldehyde dehydrogenase	0.0192	1	1
Brugia malayi	RNA binding protein	0.0065	0.263	0.3851
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.1062	0.0766
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.123	0.1035
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0192	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.1062	0.3796
Loa Loa (eye worm)	hypothetical protein	0.0137	0.6831	1
Echinococcus granulosus	geminin	0.0174	0.8966	0.8966
Brugia malayi	hypothetical protein	0.0137	0.6831	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0117	0.5626	0.5626
Loa Loa (eye worm)	RNA binding protein	0.0065	0.263	0.3851
Plasmodium falciparum	ataxin-2 like protein, putative	0.0021	0.0062	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0192	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0192	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0021	0.0062	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0416	0.1485
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.263	0.263
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.1062	0.3796
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0062	0.0091
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0117	0.5626	0.8236
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0117	0.5626	0.5626
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.2798	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.263	0.263
Schistosoma mansoni	hypothetical protein	0.0174	0.8966	0.8966
Onchocerca volvulus	Huntingtin homolog	0.0137	0.6831	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0192	1	1
Brugia malayi	Heterochromatin protein 1	0.0068	0.2798	0.4096
Echinococcus multilocularis	chromobox protein 1	0.0068	0.2798	0.2798
Brugia malayi	TAR-binding protein	0.0065	0.263	0.3851
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.123	0.4397
Loa Loa (eye worm)	hypothetical protein	0.003	0.0584	0.0855
Plasmodium vivax	ataxin-2 like protein, putative	0.0021	0.0062	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.263	0.263
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0192	1	1
Echinococcus granulosus	chromobox protein 1	0.0068	0.2798	0.2798
Leishmania major	hypothetical protein, conserved	0.0021	0.0062	0.0062
Giardia lamblia	DINP protein human, muc B family	0.002	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0416	0.1485
Trypanosoma cruzi	PAB1-binding protein , putative	0.0021	0.0062	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0117	0.5626	0.5626
Echinococcus granulosus	tar DNA binding protein	0.0065	0.263	0.263
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.263	0.263
Entamoeba histolytica	deoxycytidyl transferase, putative	0.002	0	0.5
Brugia malayi	hypothetical protein	0.0021	0.0062	0.0091
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.263	0.263
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0192	1	1
Echinococcus multilocularis	geminin	0.0174	0.8966	0.8966
Echinococcus granulosus	chromobox protein 1	0.0068	0.2798	0.2798
Schistosoma mansoni	chromobox protein	0.0068	0.2798	0.2798
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.263	0.263
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.263	0.3851
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0117	0.5626	0.8236
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.123	0.4397
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1062	0.1555
Schistosoma mansoni	chromobox protein	0.0068	0.2798	0.2798
Toxoplasma gondii	aldehyde dehydrogenase	0.0192	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0117	0.5626	0.5626
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.263	0.3851
Echinococcus multilocularis	chromobox protein 1	0.0068	0.2798	0.2798
Trypanosoma brucei	PAB1-binding protein , putative	0.0021	0.0062	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	= 70 %	Cytotoxicity against human Raji cells assessed as cell viability at 1000 molar ratio after 48 hrs	ChEMBL.	9599262

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: CHEMBL512313

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1009425