Detailed information for compound 1897036

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.37 | Formula: C23H16O6
  • H donors: 1 H acceptors: 4 LogP: 3.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Oc1ccccc1C(=O)O)Cc1ccc2c(c1)OCc1c(C2=O)cccc1
  • InChi: 1S/C23H16O6/c24-21(29-19-8-4-3-7-18(19)23(26)27)12-14-9-10-17-20(11-14)28-13-15-5-1-2-6-16(15)22(17)25/h1-11H,12-13H2,(H,26,27)
  • InChiKey: FQHSHHNICUMZET-UHFFFAOYSA-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
Schistosoma mansoni hypothetical protein 0.0052 0.0539 0.144
Brugia malayi RNA recognition motif domain containing protein 0.0279 0.369 1
Echinococcus multilocularis lamin 0.0029 0.0213 0.0206
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0213 0.0578
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0028 0.0054
Schistosoma mansoni tar DNA-binding protein 0.0279 0.369 1
Echinococcus multilocularis tumor protein p63 0.0732 1 1
Echinococcus granulosus GPCR family 2 0.0052 0.0539 0.0532
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.1088 0.8837
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0467 1
Schistosoma mansoni lamin 0.0029 0.0213 0.0555
Brugia malayi acetyltransferase, GNAT family protein 0.0159 0.2032 0.5496
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.0539 0.146
Schistosoma mansoni intermediate filament proteins 0.0029 0.0213 0.0555
Mycobacterium tuberculosis Probable reductase 0.0092 0.1088 0.8837
Echinococcus granulosus intermediate filament protein 0.0029 0.0213 0.0206
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0164 0.2101 0.5695
Schistosoma mansoni tar DNA-binding protein 0.0279 0.369 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0213 0.0578
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0467 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.1088 0.8837
Loa Loa (eye worm) RNA binding protein 0.0279 0.369 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0009 0.0001
Loa Loa (eye worm) hypothetical protein 0.0112 0.1378 0.3734
Brugia malayi MH2 domain containing protein 0.0131 0.1641 0.4434
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.123 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.2101 0.5695
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0014 0.0009 0.5
Loa Loa (eye worm) acetyltransferase 0.0159 0.2032 0.5506
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0539 0.0532
Plasmodium falciparum glutathione reductase 0.004 0.0373 0.9024
Schistosoma mansoni hypothetical protein 0.0052 0.0539 0.144
Brugia malayi intermediate filament protein 0.0029 0.0213 0.0555
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0159 0.2032 0.5496
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0014 0.0009 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.1641 0.4447
Treponema pallidum NADH oxidase 0.0014 0.0009 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0413 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0014 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0007 0.002
Brugia malayi latrophilin 2 splice variant baaae 0.0112 0.1378 0.372
Echinococcus granulosus lamin dm0 0.0029 0.0213 0.0206
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0467 1
Brugia malayi RNA binding protein 0.0279 0.369 1
Toxoplasma gondii thioredoxin reductase 0.004 0.0373 0.7955
Onchocerca volvulus 0.0107 0.1306 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0213 0.0555
Echinococcus multilocularis tar DNA binding protein 0.0279 0.369 0.3685
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.1088 0.8837
Schistosoma mansoni lamin 0.0029 0.0213 0.0555
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0539 0.0532
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0159 0.2032 0.2026
Trypanosoma brucei trypanothione reductase 0.004 0.0373 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.1088 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0373 0.2985
Brugia malayi glutathione reductase 0.004 0.0373 0.0991
Echinococcus granulosus histone acetyltransferase KAT2B 0.0155 0.197 0.1964
Schistosoma mansoni cellular tumor antigen P53 0.0107 0.1306 0.3524
Brugia malayi Thioredoxin reductase 0.004 0.0373 0.0991
Leishmania major trypanothione reductase 0.004 0.0373 1
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0373 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0164 0.2101 0.5685
Echinococcus granulosus tar DNA binding protein 0.0279 0.369 0.3685
Plasmodium vivax glutathione reductase, putative 0.004 0.0373 0.7955
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0467 1
Schistosoma mansoni tar DNA-binding protein 0.0279 0.369 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0539 0.146
Brugia malayi TAR-binding protein 0.0279 0.369 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0164 0.2101 0.5685
Schistosoma mansoni hypothetical protein 0.0052 0.0539 0.144
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0373 0.1012
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0373 0.7955
Schistosoma mansoni tar DNA-binding protein 0.0279 0.369 1
Loa Loa (eye worm) glutathione reductase 0.004 0.0373 0.1012
Loa Loa (eye worm) hypothetical protein 0.0028 0.0206 0.0558
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.123 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.123 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0009 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0413 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0467 1
Brugia malayi Latrophilin receptor protein 2 0.0052 0.0539 0.144
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0381 0.0374
Loa Loa (eye worm) hypothetical protein 0.0029 0.0213 0.0578
Schistosoma mansoni hypothetical protein 0.0052 0.0539 0.144
Loa Loa (eye worm) TAR-binding protein 0.0279 0.369 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.1641 0.4447
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0014 0.0009 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0413 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0009 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0539 0.0532
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.0539 0.144
Schistosoma mansoni tar DNA-binding protein 0.0279 0.369 1
Echinococcus multilocularis GPCR, family 2 0.0052 0.0539 0.0532
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.1088 0.8837
Echinococcus multilocularis lamin dm0 0.0029 0.0213 0.0206
Echinococcus multilocularis musashi 0.0029 0.0213 0.0206
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0381 0.0374
Schistosoma mansoni hypothetical protein 0.0112 0.1378 0.372
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0009 0.0001
Echinococcus granulosus lamin 0.0029 0.0213 0.0206
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0279 0.369 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1306 0.354
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0028 0.0077
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0539 0.0532
Plasmodium falciparum thioredoxin reductase 0.004 0.0373 0.9024
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0467 0.046
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.123 1

Activities

No activities found for this compound.

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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