Detailed information for compound 1497045

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 316.305 | Formula: C17H16O6
  • H donors: 2 H acceptors: 3 LogP: 2.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(O)c2c(c1)OC[C@@H](C2=O)c1ccc(cc1OC)O
  • InChi: 1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3/t12-/m1/s1
  • InChiKey: RYYWWFXWFMYKJM-GFCCVEGCSA-N  


Substructure search Similarity search

Network

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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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0016 0.0187 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Schistosoma mansoni ran 0.0021 0.0338 0.0338
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.041 0.1667
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0187 0.0401
Entamoeba histolytica cysteine protease, putative 0.0016 0.0187 0.4547
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0187 0.4547
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Leishmania major importin beta-1 subunit, putative 0.0023 0.041 0.1667
Brugia malayi Importin beta-1 subunit 0.0028 0.0594 0.1276
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0594 0.2791
Onchocerca volvulus Cathepsin F homolog 0.0016 0.0187 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0016 0.0197 0.0197
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Onchocerca volvulus 0.0016 0.0187 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1635 0.1476
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0187 0.0187
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Loa Loa (eye worm) hypothetical protein 0.0016 0.0187 0.0187
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0016 0.0197 0.0011
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.1773 1
Leishmania major cysteine peptidase A (CPA) 0.0016 0.0187 0.0298
Echinococcus multilocularis snurportin 1 0.0297 1 1
Onchocerca volvulus 0.0016 0.0187 1
Schistosoma mansoni bromodomain containing protein 0.0061 0.1756 0.1756
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.1773 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0187 0.0187
Loa Loa (eye worm) fibroinase 0.0016 0.0187 0.0187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1164 0.1164
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0187 0.0187
Onchocerca volvulus 0.0016 0.0187 1
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.0187 0.0401
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0187 0.4547
Schistosoma mansoni hypothetical protein 0.0122 0.3866 0.3866
Brugia malayi Bromodomain containing protein 0.0037 0.0913 0.1961
Loa Loa (eye worm) hypothetical protein 0.0041 0.106 0.106
Brugia malayi Cathepsin L-like precursor 0.0016 0.0187 0.0401
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0338 0.0338
Loa Loa (eye worm) hypothetical protein 0.0144 0.4658 0.4658
Entamoeba histolytica hypothetical protein 0.0023 0.041 1
Leishmania major cathepsin L-like protease 0.0062 0.1773 1
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.1773 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Echinococcus multilocularis thyroid hormone receptor alpha 0.0131 0.4207 0.4097
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0382 0.0382
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0187 0.4547
Loa Loa (eye worm) hypothetical protein 0.0016 0.0197 0.0197
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Onchocerca volvulus 0.0016 0.0187 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0338 0.3703
Echinococcus granulosus zinc finger protein 0.0019 0.0282 0.0282
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0187 0.4547
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0338 0.1221
Trichomonas vaginalis ran, putative 0.0021 0.0338 0.8226
Echinococcus granulosus importin subunit beta 1 0.0028 0.0594 0.0594
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0594 0.2791
Onchocerca volvulus 0.0016 0.0187 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0197 0.0197
Leishmania major cathepsin L-like protease 0.0016 0.0187 0.0298
Leishmania major cathepsin L-like protease 0.0016 0.0187 0.0298
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0197 0.0197
Leishmania major cathepsin L-like protease 0.0062 0.1773 1
Loa Loa (eye worm) ctsf protein 0.0016 0.0187 0.0187
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0016 0.0197 0.0011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Schistosoma mansoni thyroid hormone receptor 0.0131 0.4207 0.4207
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1164 0.2499
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.2006 0.2006
Echinococcus multilocularis muscleblind protein 1 0.0144 0.4658 0.4557
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0338 0.1221
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0834 0.0659
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0318 0.0318
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0297 1 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0187 0.0401
Schistosoma mansoni hypothetical protein 0.0015 0.0138 0.0138
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.041 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Trichomonas vaginalis importin beta-1, putative 0.0023 0.041 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Trypanosoma cruzi major cysteine proteinase, putative 0.0048 0.1313 0.7185
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0187 0.4547
Brugia malayi RNA, U transporter 1 0.0079 0.2387 0.5123
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0338 0.3703
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1164 0.1164
Loa Loa (eye worm) hypothetical protein 0.0144 0.4658 0.4658
Schistosoma mansoni thyroid hormone receptor 0.0131 0.4207 0.4207
Brugia malayi PHD-finger family protein 0.0024 0.0462 0.0992
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1164 0.1164
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0338 0.3703
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0382 0.0199
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0218 0.0218
Plasmodium falciparum importin beta, putative 0.0028 0.0594 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1164 0.1164
Schistosoma mansoni zinc finger protein 0.0019 0.0282 0.0282
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0197 0.0197
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0187 0.4547
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0187 0.4547
Leishmania major cathepsin L-like protease 0.0016 0.0187 0.0298
Brugia malayi Muscleblind-like protein 0.0144 0.4658 1
Schistosoma mansoni hypothetical protein 0.002 0.0318 0.0318
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1164 0.0996
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0187 0.4547
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0187 1
Schistosoma mansoni zinc finger protein 0.0015 0.0138 0.0138
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0338 0.0725
Plasmodium vivax importin-beta 2, putative 0.0028 0.0594 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0187 0.0187
Leishmania major cathepsin L-like protease 0.0016 0.0187 0.0298
Brugia malayi Cathepsin L-like precursor 0.0016 0.0187 0.0401
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0338 0.1221
Brugia malayi Cathepsin L-like precursor 0.0016 0.0187 0.0401
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0187 0.0187
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.0187 0.0298
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0338 0.0154
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0187 0.4547
Schistosoma mansoni importin beta-1 0.0028 0.0594 0.0594
Loa Loa (eye worm) hypothetical protein 0.0037 0.0916 0.0916
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0338 0.5
Leishmania major cathepsin L-like protease 0.0016 0.0187 0.0298
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0197 0.0197
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0056 0.1586 0.8859
Leishmania major cathepsin L-like protease 0.0062 0.1773 1
Echinococcus multilocularis zinc finger protein 0.0019 0.0282 0.0097
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0594 0.0415
Schistosoma mansoni hypothetical protein 0.0297 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0187 0.4547
Echinococcus granulosus cathepsin l1 0.0016 0.0187 0.0187
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1164 0.0996
Entamoeba histolytica Ran family GTPase 0.0021 0.0338 0.8226
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0834 0.0834
Echinococcus multilocularis muscleblind protein 0.0144 0.4658 0.4557
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Brugia malayi Bromodomain containing protein 0.0072 0.2151 0.4617
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0338 0.0338
Schistosoma mansoni ran 0.0021 0.0338 0.0338
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0187 0.0187
Echinococcus granulosus histone lysine methyltransferase setb 0.0016 0.0197 0.0197
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0594 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1164 0.1164
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Brugia malayi Cathepsin L-like precursor 0.0016 0.0187 0.0401
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.3866 0.375
Loa Loa (eye worm) hypothetical protein 0.0039 0.0996 0.0996
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0187 0.4547
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1164 0.1164
Onchocerca volvulus 0.0016 0.0187 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0187 0.4547
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.1773 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.041 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0594 0.0594
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1635 0.1635
Echinococcus granulosus muscleblind protein 0.0144 0.4658 0.4658
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0382 0.0382
Loa Loa (eye worm) cysteine protease 0.0016 0.0187 0.0187
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0187 1
Leishmania major GTP-binding protein, putative 0.0021 0.0338 0.1221
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.1773 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0187 0.4547
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0187 0.4547
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.3866 0.3866

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antifungal activity against Candida albicans DSM 1386 after 24 hrs by disk diffusion method ChEMBL. 21265557
IZ (functional) = 7.3 mm Antimicrobial activity against Escherichia coli DSM 682 after 24 hrs by disk diffusion method ChEMBL. 21265557

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

Bibliographic References

No literature references available for this target.

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