Detailed information for compound 1092665

Basic information

Technical information
  • TDR Targets ID: 1092665
  • Name: (1R,3S)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4- dihydro-1H-benzo[g]isochromene-5,10-dione
  • MW: 288.295 | Formula: C16H16O5
  • H donors: 1 H acceptors: 3 LogP: 2.15 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](C)O[C@H](C1)C
  • InChi: 1S/C16H16O5/c1-7-4-10-13(8(2)21-7)16(19)14-11(15(10)18)5-9(20-3)6-12(14)17/h5-8,17H,4H2,1-3H3/t7-,8+/m0/s1
  • InChiKey: RNGGDQGPILKTQU-JGVFFNPUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1R,3S)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-quinone

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
Schistosoma mansoni zinc finger protein 0.0015 0.024 0.014
Schistosoma mansoni hypothetical protein 0.0016 0.0286 0.021
Loa Loa (eye worm) hypothetical protein 0.0043 0.1475 0.1468
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0147 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0286 0.0278
Trypanosoma cruzi ISWI complex protein 0.0015 0.024 0.0886
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0344 0.0297
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0286 0.0278
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0314 0.0252
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1715 0.1715
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0466 0.0458
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.153 0.2087
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.2241 1
Schistosoma mansoni hypothetical protein 0.0034 0.1092 0.1427
Loa Loa (eye worm) hypothetical protein 0.0237 1 1
Loa Loa (eye worm) hypothetical protein 0.015 0.6167 0.6164
Schistosoma mansoni hypothetical protein 0.0164 0.6769 1
Schistosoma mansoni bromodomain containing protein 0.0063 0.2349 0.3325
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0344 0.0336
Brugia malayi CXXC zinc finger family protein 0.0031 0.0937 0.0937
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1786 0.1786
Schistosoma mansoni hypothetical protein 0.002 0.0466 0.0481
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0147 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0624 0.0719
Loa Loa (eye worm) hypothetical protein 0.0016 0.0286 0.0278
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1194 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0.0147 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.153 0.1523
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.034 0.0332
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0083 0.3247 0.8837
Schistosoma mansoni hypothetical protein 0.0016 0.0286 0.021
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0314 0.0252
Loa Loa (eye worm) hypothetical protein 0.005 0.1786 0.1779
Trypanosoma brucei trypanothione reductase 0.0037 0.1194 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.153 0.1523
Schistosoma mansoni cpg binding protein 0.0034 0.1095 0.1431
Treponema pallidum NADH oxidase 0.0013 0.0147 0.5
Echinococcus multilocularis muscleblind protein 0.015 0.6167 0.6164
Trypanosoma brucei ISWI complex protein 0.0015 0.024 0.0886
Onchocerca volvulus 0.0048 0.1715 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0147 0.0139
Loa Loa (eye worm) hypothetical protein 0.0034 0.1092 0.1085
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.153 0.2087
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.2197 0.2191
Schistosoma mansoni cpg binding protein 0.0031 0.0937 0.1193
Leishmania major hypothetical protein, conserved 0.0015 0.024 0.0886
Schistosoma mansoni hypothetical protein 0.0016 0.0286 0.021
Leishmania major trypanothione reductase 0.0037 0.1194 1
Brugia malayi PHD-finger family protein 0.0026 0.0724 0.0724
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.3655 1
Echinococcus multilocularis cpg binding protein 0.0034 0.1095 0.1087
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0016 0.0314 0.0306
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0937 0.093
Schistosoma mansoni zinc finger protein 0.0021 0.0498 0.0529
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.1216 0.1208
Toxoplasma gondii thioredoxin reductase 0.0037 0.1194 0.5001
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0147 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0084 0.0084
Schistosoma mansoni hypothetical protein 0.0164 0.6769 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.1715 0.2367
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.2445 0.347
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1092 0.1092
Loa Loa (eye worm) hypothetical protein 0.0037 0.1217 0.121
Echinococcus granulosus GPCR family 2 0.0016 0.0286 0.0278
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.153 0.1523
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.3655 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0147 0.0139
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.153 0.153
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0344 0.0297
Schistosoma mansoni hypothetical protein 0.0015 0.024 0.014
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1194 1
Echinococcus multilocularis geminin 0.0164 0.6769 0.6767
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1786 0.1779
Schistosoma mansoni hypothetical protein 0.0016 0.0286 0.021
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.1114 0.1107
Brugia malayi glutathione reductase 0.0037 0.1194 0.1194
Plasmodium vivax glutathione reductase, putative 0.0037 0.1194 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.153 0.1523
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1194 0.2985
Echinococcus granulosus methyl CpG binding domain protein 2 0.0016 0.0314 0.0306
Echinococcus granulosus muscleblind protein 0.015 0.6167 0.6164
Mycobacterium tuberculosis Probable dehydrogenase 0.0083 0.3247 0.8837
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.2197 0.2191
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0.0147 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0624 0.0616
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0286 0.0278
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.3655 1
Echinococcus granulosus cpg binding protein 0.0034 0.1095 0.1087
Loa Loa (eye worm) hypothetical protein 0.015 0.6167 0.6164
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.1114 0.1107
Schistosoma mansoni cpg binding protein 0.0034 0.1095 0.1431
Echinococcus multilocularis GPCR, family 2 0.0016 0.0286 0.0278
Echinococcus multilocularis zinc finger protein 0.0021 0.0498 0.049
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0344 0.0336
Brugia malayi Bromodomain containing protein 0.0074 0.2845 0.2845
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0083 0.3247 0.8837
Echinococcus granulosus zinc finger protein 0.0021 0.0498 0.049
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0286 0.0278
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0147 0.5
Trypanosoma cruzi ISWI complex protein 0.0015 0.024 0.0886
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.3655 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.153 0.2087
Loa Loa (eye worm) hypothetical protein 0.0017 0.0344 0.0336
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.153 0.1523
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1194 0.1187
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0.0147 0.5
Brugia malayi Bromodomain containing protein 0.0037 0.1214 0.1214
Loa Loa (eye worm) hypothetical protein 0.0039 0.1318 0.131
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0147 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.2588 0.2581
Echinococcus granulosus survival motor neuron protein 1 0.0237 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0083 0.3247 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0.0147 0.5
Brugia malayi Muscleblind-like protein 0.015 0.6167 0.6167
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0083 0.3247 0.8837
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1786 0.1786
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0286 0.0278
Plasmodium falciparum thioredoxin reductase 0.0037 0.1194 1
Loa Loa (eye worm) glutathione reductase 0.0037 0.1194 0.1187
Echinococcus multilocularis muscleblind protein 1 0.015 0.6167 0.6164
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0286 0.0286
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0624 0.0616
Plasmodium falciparum glutathione reductase 0.0037 0.1194 1
Brugia malayi Thioredoxin reductase 0.0037 0.1194 0.1194
Schistosoma mansoni hypothetical protein 0.0048 0.1715 0.2367
Mycobacterium tuberculosis Probable reductase 0.0083 0.3247 0.8837
Echinococcus multilocularis survival motor neuron protein 1 0.0237 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0147 0.0147
Echinococcus granulosus geminin 0.0164 0.6769 0.6767
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0286 0.0286
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.1216 0.1208

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of Xanthomonas vasicola XhoI assessed as pBSKS cleavage at 100 uM by endonuclease assay ChEMBL. 19783445
MIC50 (functional) = 5 uM Growth inhibition of Saccharomyces cerevisiae BY4741 after 24 hrs ChEMBL. 19783445

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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