Detailed information for compound 957671

Basic information

Technical information
  • TDR Targets ID: 957671
  • Name: [3-hydroxy-2-(3-methylbut-2-enyl)phenyl]-[2,4 ,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]me thanone
  • MW: 382.45 | Formula: C23H26O5
  • H donors: 4 H acceptors: 5 LogP: 6.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CCc1c(O)cccc1C(=O)c1c(O)cc(c(c1O)CC=C(C)C)O)C
  • InChi: 1S/C23H26O5/c1-13(2)8-10-15-16(6-5-7-18(15)24)22(27)21-20(26)12-19(25)17(23(21)28)11-9-14(3)4/h5-9,12,24-26,28H,10-11H2,1-4H3
  • InChiKey: RJRXEFUEAJKCQJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AIDS-180882
  • AIDS180882
  • Cudraphenone D
  • Methanone, [3-hydroxy-2-(3-methyl-2-butenyl)phenyl][2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-

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
Echinococcus granulosus histone deacetylase 1 0.0154 0.5306 0.5117
Entamoeba histolytica histone deacetylase, putative 0.0154 0.5306 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0515 0.0515
Trypanosoma brucei histone deacetylase 1 0.0154 0.5306 1
Onchocerca volvulus 0.0047 0.1196 0.0788
Toxoplasma gondii histone deacetylase HDAC2 0.0154 0.5306 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0634 0.0258
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0634 0.0258
Schistosoma mansoni acetylcholinesterase 0.0047 0.1196 0.0717
Onchocerca volvulus 0.0255 0.9153 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1288 0.0815
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0047 0.1196 1
Trypanosoma cruzi histone deacetylase, putative 0.0119 0.3956 0.619
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.5306 0.5165
Echinococcus multilocularis carboxylesterase 5A 0.0277 1 1
Echinococcus granulosus histone deacetylase 7 0.0119 0.3956 0.3713
Echinococcus multilocularis histone deacetylase 6 0.0119 0.3956 0.3713
Echinococcus multilocularis histone deacetylase 6 0.0132 0.4436 0.4213
Plasmodium vivax histone deacetylase 1, putative 0.0154 0.5306 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0277 1 1
Echinococcus granulosus histone deacetylase 3 0.0154 0.5306 0.5117
Loa Loa (eye worm) hypothetical protein 0.0133 0.4479 0.4479
Echinococcus granulosus lamin dm0 0.0029 0.0515 0.0134
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0634 0.0125
Toxoplasma gondii histone deacetylase HDAC3 0.0154 0.5306 1
Echinococcus multilocularis histone deacetylase 8 0.0062 0.1763 0.1431
Loa Loa (eye worm) carboxylesterase 0.0277 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0133 0.4479 0.4257
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0047 0.1196 0.0717
Brugia malayi Pre-SET motif family protein 0.0224 0.797 0.797
Toxoplasma gondii histone deacetylase HDAC4 0.0062 0.1763 0.2416
Loa Loa (eye worm) carboxylesterase 0.0047 0.1196 0.1196
Loa Loa (eye worm) hypothetical protein 0.0047 0.1196 0.1196
Echinococcus multilocularis histone deacetylase 0.0119 0.3956 0.3713
Brugia malayi Histone deacetylase 1 0.0154 0.5306 0.5306
Schistosoma mansoni histone deacetylase 4 5 0.0119 0.3956 0.3628
Brugia malayi histone deacetylase 11 0.0062 0.1763 0.1763
Brugia malayi intermediate filament protein 0.0029 0.0515 0.0515
Echinococcus multilocularis geminin 0.0167 0.5771 0.5601
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1288 0.0938
Brugia malayi Histone deacetylase family protein 0.0119 0.3956 0.3956
Loa Loa (eye worm) hypothetical protein 0.0047 0.1196 0.1196
Echinococcus granulosus BC026374 protein S09 family 0.0047 0.1196 0.0842
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1288 0.1288
Onchocerca volvulus 0.0047 0.1196 0.0788
Chlamydia trachomatis glutamine binding protein 0.0018 0.0111 0.5
Trypanosoma brucei histone deacetylase 3 0.0119 0.3956 0.619
Brugia malayi MH2 domain containing protein 0.0129 0.4318 0.4318
Brugia malayi Carboxylesterase family protein 0.0047 0.1196 0.1196
Echinococcus multilocularis lamin 0.0029 0.0515 0.0134
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0154 0.5306 0.5165
Schistosoma mansoni histone deacetylase hda2 0.0062 0.1763 0.1315
Trypanosoma brucei histone deacetylase 4 0.0119 0.3956 0.619
Brugia malayi Carboxylesterase family protein 0.0047 0.1196 0.1196
Loa Loa (eye worm) hypothetical protein 0.0047 0.1196 0.1196
Trypanosoma cruzi histone deacetylase 1, putative 0.0154 0.5306 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0018 0.0111 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0133 0.4479 0.4179
Loa Loa (eye worm) hypothetical protein 0.0133 0.4479 0.4479
Trypanosoma cruzi histone deacetylase, putative 0.0119 0.3956 0.619
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1288 0.0938
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0634 0.0125
Echinococcus granulosus histone deacetylase 6 0.0119 0.3956 0.3713
Leishmania major histone deacetylase, putative 0.0154 0.5306 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0062 0.1763 0.1315
Leishmania major histone deacetylase, putative 0.0154 0.5306 1
Echinococcus granulosus histone deacetylase 0.0119 0.3956 0.3713
Schistosoma mansoni histone deacetylase 4 5 0.0119 0.3956 0.3628
Echinococcus granulosus histone deacetylase 6 0.0119 0.3956 0.3713
Onchocerca volvulus Histone deacetylase 10 homolog 0.0062 0.1763 0.1444
Toxoplasma gondii histone deacetylase HDAC5 0.0062 0.1763 0.2416
Plasmodium falciparum histone deacetylase 1 0.0154 0.5306 1
Echinococcus multilocularis acetylcholinesterase 0.0277 1 1
Echinococcus granulosus carboxylesterase 5A 0.0277 1 1
Loa Loa (eye worm) histone deacetylase 1 0.0154 0.5306 0.5306
Schistosoma mansoni histone deacetylase 0.0154 0.5306 0.5051
Loa Loa (eye worm) hypothetical protein 0.0032 0.0634 0.0634
Onchocerca volvulus 0.0047 0.1196 0.0788
Brugia malayi Pre-SET motif family protein 0.0032 0.0634 0.0634
Echinococcus multilocularis acetylcholinesterase 0.0277 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.1763 0.1763
Loa Loa (eye worm) hypothetical protein 0.0047 0.1196 0.1196
Trypanosoma cruzi histone deacetylase, putative 0.0119 0.3956 0.619
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1288 0.0815
Echinococcus granulosus acetylcholinesterase 0.0277 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0047 0.1196 0.0842
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.5306 0.5165
Trypanosoma cruzi histone deacetylase 1, putative 0.0154 0.5306 1
Echinococcus multilocularis musashi 0.0029 0.0515 0.0134
Schistosoma mansoni histone deacetylase 0.0154 0.5306 0.5051
Brugia malayi Carboxylesterase family protein 0.0277 1 1
Echinococcus granulosus geminin 0.0167 0.5771 0.5601
Echinococcus granulosus neuroligin 0.0047 0.1196 0.0842
Mycobacterium tuberculosis Carboxylesterase LipT 0.0047 0.1196 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0047 0.1196 0.0717
Loa Loa (eye worm) hypothetical protein 0.0047 0.1196 0.1196
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.5306 0.5165
Plasmodium vivax histone deacetylase, putative 0.0119 0.3956 0.7111
Brugia malayi Histone deacetylase family protein 0.0119 0.3956 0.3956
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.4318 0.4318
Brugia malayi Carboxylesterase family protein 0.0047 0.1196 0.1196
Echinococcus granulosus histone deacetylase 6 0.0132 0.4436 0.4213
Echinococcus granulosus intermediate filament protein 0.0029 0.0515 0.0134
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.797 0.797
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0515 0.0515
Echinococcus multilocularis histone deacetylase 1 0.0154 0.5306 0.5117
Loa Loa (eye worm) hypothetical protein 0.0277 1 1
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0018 0.0111 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.1196 0.1196
Loa Loa (eye worm) histone deacetylase 0.0119 0.3956 0.3956
Echinococcus multilocularis lamin dm0 0.0029 0.0515 0.0134
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0634 0.0258
Echinococcus multilocularis histone deacetylase 7 0.0119 0.3956 0.3713
Echinococcus multilocularis serotonin receptor 0.0133 0.4479 0.4257
Plasmodium vivax histone deacetylase, putative 0.0062 0.1763 0.2416
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1288 0.0938
Echinococcus granulosus acetylcholinesterase 0.0277 1 1
Giardia lamblia Histone deacetylase 0.0154 0.5306 0.5
Toxoplasma gondii histone deacetylase HDAC1 0.0119 0.3956 0.7111
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0515 0.0515
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1288 0.0815
Loa Loa (eye worm) histone deacetylase 3 0.0154 0.5306 0.5306
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0154 0.5306 0.5165
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0589 0.0211
Echinococcus multilocularis serotonin receptor 0.0133 0.4479 0.4257
Echinococcus multilocularis histone deacetylase 3 0.0154 0.5306 0.5117
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0047 0.1196 0.0842
Trypanosoma brucei histone deacetylase, putative 0.0119 0.3956 0.619
Loa Loa (eye worm) hypothetical protein 0.0277 1 1
Plasmodium vivax histone deacetylase 2, putative 0.0119 0.3956 0.7111
Trichomonas vaginalis set domain proteins, putative 0.0255 0.9153 1
Onchocerca volvulus 0.0032 0.0634 0.0137
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0515 0.0515
Loa Loa (eye worm) histone deacetylase 11 0.0062 0.1763 0.1763
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0047 0.1196 1
Echinococcus granulosus histone deacetylase 8 0.0062 0.1763 0.1431
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0154 0.5306 0.5165
Echinococcus granulosus lamin 0.0029 0.0515 0.0134
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0634 0.0125
Schistosoma mansoni hypothetical protein 0.0167 0.5771 0.5541
Brugia malayi histone deacetylase 3 (HD3) 0.0154 0.5306 0.5306
Loa Loa (eye worm) carboxylesterase 0.0047 0.1196 0.1196
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0634 0.0125
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.5306 0.5165
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1288 0.1288
Brugia malayi hypothetical protein 0.0047 0.1196 0.1196
Brugia malayi Carboxylesterase family protein 0.0047 0.1196 0.1196
Echinococcus granulosus para nitrobenzyl esterase 0.0047 0.1196 0.0842
Schistosoma mansoni neuroligin 3 (S09 family) 0.0047 0.1196 0.0717
Mycobacterium ulcerans carboxylesterase, LipT 0.0047 0.1196 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1288 0.0938
Brugia malayi histone deacetylase 1 (HD1) 0.0154 0.5306 0.5306
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.5306 0.5165
Schistosoma mansoni hypothetical protein 0.0167 0.5771 0.5541
Onchocerca volvulus 0.0047 0.1196 0.0788
Echinococcus multilocularis neuroligin 0.0047 0.1196 0.0842
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0277 1 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.5306 0.5306
Loa Loa (eye worm) hypothetical protein 0.0057 0.1599 0.1599
Loa Loa (eye worm) hypothetical protein 0.007 0.2079 0.2079
Echinococcus multilocularis histone deacetylase 6 0.0119 0.3956 0.3713
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0018 0.0111 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.5306 0.5165
Echinococcus multilocularis BC026374 protein (S09 family) 0.0047 0.1196 0.0842
Onchocerca volvulus 0.0047 0.1196 0.0788
Loa Loa (eye worm) hypothetical protein 0.0029 0.0495 0.0495
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0047 0.1196 0.0842
Loa Loa (eye worm) hypothetical protein 0.0047 0.1196 0.1196
Loa Loa (eye worm) histone deacetylase 7A 0.0119 0.3956 0.3956
Schistosoma mansoni histone deacetylase hda2 0.0132 0.4436 0.4134
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.4318 0.4318
Schistosoma mansoni gliotactin 0.0047 0.1196 0.0717
Schistosoma mansoni BC026374 protein (S09 family) 0.0047 0.1196 0.0717
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0047 0.1196 0.0717

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 0.052 mM Cytotoxicity against human HSC2 cells ChEMBL. 11170668
IZ (functional) = 11 mm Antifungal activity against Candida albicans ATCC 90028 after 48 hrs by disk diffusion assay ChEMBL. 12932139
MIC (functional) = 2 ug ml-1 Antifungal activity against Cryptococcus neoformans ATCC 90112 after 48 to 96 hrs by broth microdilution method ChEMBL. 12932139
MIC (functional) = 16 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 after 48 to 96 hrs by broth microdilution method ChEMBL. 12932139

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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