Detailed information for compound 581677

Basic information

Technical information
  • TDR Targets ID: 581677
  • Name: 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanato -spiro[isobenzofuran-3,9'-xanthene]-1-one
  • MW: 641.174 | Formula: C21H9I2NO5S
  • H donors: 2 H acceptors: 3 LogP: 6.12 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 2
  • SMILES: S=C=Nc1ccc2c(c1)C(=O)OC12c2ccc(c(c2Oc2c1ccc(c2I)O)I)O
  • InChi: 1S/C21H9I2NO5S/c22-16-14(25)5-3-12-18(16)28-19-13(4-6-15(26)17(19)23)21(12)11-2-1-9(24-8-30)7-10(11)20(27)29-21/h1-7,25-26H
  • InChiKey: IMYGGUMSYXRHLN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one
  • 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanato-spiro[2-benzofuran-3,9'-xanthene]-1-one
  • 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanato-spiro[phthalan-3,9'-xanthene]-1-one
  • 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
  • diiodofluorescein isothiocyanate
  • 76391-89-4
  • Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-4',5'-diiodo-5-isothiocyanato-

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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0086 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0851 1
Schistosoma mansoni bromodomain containing protein 0.0067 0.2274 0.5778
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0674 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1165 0.1311
Loa Loa (eye worm) hypothetical protein 0.0047 0.1366 0.1544
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0929 0.236
Echinococcus granulosus short transient receptor potential channel 6 0.0068 0.2319 0.5893
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0851 0.0772
Loa Loa (eye worm) hypothetical protein 0.0074 0.264 0.3015
Echinococcus multilocularis transient receptor potential gamma protein 0.0102 0.3935 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0851 0.0772
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0851 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.2098 0.533
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1366 0.3471
Brugia malayi Pre-SET motif family protein 0.0029 0.0527 0.0513
Brugia malayi Pre-SET motif family protein 0.0204 0.8684 1
Echinococcus granulosus zinc finger protein 0.0021 0.0124 0.0315
Loa Loa (eye worm) hypothetical protein 0.004 0.1048 0.1177
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0477 0.1212
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.2098 0.533
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.1366 0.3471
Trichomonas vaginalis set domain proteins, putative 0.0232 1 1
Schistosoma mansoni transient receptor potential channel 4 0.0102 0.3935 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0778 0.0864
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.8684 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0527 0.5763
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0851 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0851 1
Echinococcus granulosus transient receptor potential ion channel A 0.0099 0.3776 0.9596
Echinococcus multilocularis short transient receptor potential channel 6 0.0068 0.2319 0.5893
Loa Loa (eye worm) hypothetical protein 0.0064 0.216 0.2461
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0851 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0851 0.0772
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0527 0.134
Schistosoma mansoni ap endonuclease 0.002 0.0086 0.0219
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.027 0.0686
Loa Loa (eye worm) hypothetical protein 0.0045 0.1259 0.142
Loa Loa (eye worm) hypothetical protein 0.0102 0.3935 0.4512
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0851 0.2163
Brugia malayi Inositol-1 0.0036 0.0851 0.089
Plasmodium vivax SET domain protein, putative 0.0029 0.0527 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0851 1
Loa Loa (eye worm) inositol-1 0.0036 0.0851 0.0949
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0851 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.1366 0.3471
Schistosoma mansoni transient receptor potential channel 0.0068 0.2319 0.5893
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0086 0.0065
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0527 0.134
Brugia malayi Transient-receptor-potential like protein 0.0038 0.0937 0.0989
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0851 1
Echinococcus granulosus short transient receptor potential channel 6 0.0068 0.2319 0.5893
Brugia malayi Bromodomain containing protein 0.004 0.1045 0.1115
Schistosoma mansoni transient receptor potential channel 0.0102 0.3935 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0086 0.0219
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0086 0.0219
Echinococcus granulosus transient receptor potential gamma protein 0.0102 0.3935 1
Schistosoma mansoni transient receptor potential channel 0.0068 0.2319 0.5893
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0527 0.134
Schistosoma mansoni ap endonuclease 0.002 0.0086 0.0219
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0086 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1366 0.3471
Loa Loa (eye worm) hypothetical protein 0.0038 0.0937 0.1048
Schistosoma mansoni zinc finger protein 0.0021 0.0124 0.0315
Echinococcus multilocularis zinc finger protein 0.0021 0.0124 0.0315
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0038 0.0937 0.238
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0086 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0674 1
Brugia malayi PHD-finger family protein 0.0026 0.0386 0.0349
Schistosoma mansoni inositol monophosphatase 0.0036 0.0851 0.2163
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.027 0.0686
Schistosoma mansoni hypothetical protein 0.0022 0.0176 0.0447
Brugia malayi Bromodomain containing protein 0.0079 0.285 0.3214
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0929 0.236
Echinococcus granulosus TRP transient receptor potential channel 0.0038 0.0937 0.238
Echinococcus multilocularis short transient receptor potential channel 6 0.0068 0.2319 0.5893
Schistosoma mansoni inositol monophosphatase 0.0036 0.0851 0.2163
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.027 0.0686
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0176 0.0169
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0851 0.2163
Echinococcus multilocularis transient receptor potential ion channel A 0.0099 0.3776 0.9596

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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