Detailed information for compound 1023751

Basic information

Technical information
  • TDR Targets ID: 1023751
  • Name: 3-hydroxy-2-(hydroxymethyl)-1-methoxyanthrace ne-9,10-dione
  • MW: 284.263 | Formula: C16H12O5
  • H donors: 2 H acceptors: 4 LogP: 2.15 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O
  • InChi: 1S/C16H12O5/c1-21-16-11(7-17)12(18)6-10-13(16)15(20)9-5-3-2-4-8(9)14(10)19/h2-6,17-18H,7H2,1H3
  • InChiKey: ASFZQCLAQPBWDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-hydroxy-2-(hydroxymethyl)-1-methoxy-anthracene-9,10-dione
  • 3-hydroxy-1-methoxy-2-methylol-9,10-anthraquinone
  • 477-83-8
  • Damnacanthol
  • Damnacantol
  • CCRIS 6439
  • ACon1_000070
  • MEGxp0_001331

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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0155 0.3872 0.3872
Onchocerca volvulus 0.0031 0.0087 0.0132
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.019 0.4921 0.4921
Plasmodium vivax glutathione reductase, putative 0.0041 0.0401 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0064 0.1089 0.1089
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0149 0.0149
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0064 0.1089 1
Loa Loa (eye worm) STAT protein 0.0158 0.3944 0.6928
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0087 0.0087
Schistosoma mansoni jumonji domain containing protein 0.0086 0.1751 0.1751
Loa Loa (eye worm) MBCTL1 0.0053 0.0763 0.1341
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0155 0.3872 0.3872
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0188 0.4857 0.4857
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0359 0.0359
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0094 0.2006 0.8342
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0104 0.2325 1
Plasmodium vivax thioredoxin reductase, putative 0.0041 0.0401 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.019 0.4921 0.7459
Loa Loa (eye worm) hypothetical protein 0.0056 0.0863 0.1516
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0104 0.2325 1
Onchocerca volvulus 0.0047 0.0567 0.0859
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0567 0.0567
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.2424 0.2424
Echinococcus granulosus peregrin 0.0033 0.0149 0.0149
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.5693 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0763 0.0763
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0064 0.1089 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0094 0.2006 0.8342
Brugia malayi Pre-SET motif family protein 0.0031 0.0087 0.0153
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0359 0.0359
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0763 0.1341
Loa Loa (eye worm) glutathione reductase 0.0041 0.0401 0.0705
Trypanosoma cruzi trypanothione reductase, putative 0.0041 0.0401 0.3683
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0567 0.0567
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0149 0.0149
Brugia malayi jmjC domain containing protein 0.0108 0.2424 0.4258
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0064 0.1089 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0053 0.0053
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0567 0.0567
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0155 0.3872 0.3872
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0087 0.0087
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.054 0.054
Plasmodium falciparum glutathione reductase 0.0041 0.0401 1
Brugia malayi prolyl oligopeptidase family protein 0.019 0.4921 0.8644
Mycobacterium tuberculosis Probable oxidoreductase 0.0104 0.2325 1
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0149 0.0261
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0087 0.0087
Loa Loa (eye worm) thioredoxin reductase 0.0041 0.0401 0.0705
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0087 0.0087
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0155 0.3872 0.6801
Onchocerca volvulus Alhambra homolog 0.0033 0.0149 0.0225
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0567 0.0567
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0149 0.026
Loa Loa (eye worm) hypothetical protein 0.0049 0.0632 0.111
Brugia malayi mbt repeat family protein 0.0047 0.0567 0.0996
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0064 0.1089 0.1902
Schistosoma mansoni hypothetical protein 0.0033 0.0149 0.0149
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0567 0.0567
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0359 0.0359
Brugia malayi prolyl oligopeptidase family protein 0.0064 0.1089 0.1913
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.019 0.4921 0.4921
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0094 0.2006 0.8342
Mycobacterium tuberculosis Probable dehydrogenase 0.0094 0.2006 0.8342
Brugia malayi Bromodomain containing protein 0.0033 0.0149 0.0261
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0567 0.0567
Echinococcus granulosus jumonji domain containing protein 0.0046 0.054 0.054
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0087 0.0087
Plasmodium falciparum thioredoxin reductase 0.0041 0.0401 1
Echinococcus multilocularis peregrin 0.0033 0.0149 0.0149
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0064 0.1089 0.1089
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0567 0.0859
Brugia malayi jmjC domain containing protein 0.004 0.0359 0.0631
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0149 0.0149
Brugia malayi mbt repeat family protein 0.0047 0.0567 0.0996
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.1214 0.2132
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0763 0.0763
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0188 0.4857 0.4857
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0567 0.0996
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0064 0.1089 0.1089
Brugia malayi Thioredoxin reductase 0.0041 0.0401 0.0705
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.0418 0.0418
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0064 0.1089 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0087 0.0087
Brugia malayi STAT protein, DNA binding domain containing protein 0.0158 0.3944 0.6928
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0763 0.0763
Giardia lamblia PHD finger protein 15 0.0033 0.0149 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.2424 0.2424
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.0418 0.0418
Toxoplasma gondii thioredoxin reductase 0.0041 0.0401 0.0701
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0359 0.0631
Loa Loa (eye worm) hypothetical protein 0.0053 0.0763 0.1341
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0155 0.3872 0.3872
Loa Loa (eye worm) hypothetical protein 0.0033 0.0149 0.0261
Loa Loa (eye worm) hypothetical protein 0.0047 0.0567 0.0996
Mycobacterium tuberculosis Probable reductase 0.0094 0.2006 0.8342
Trichomonas vaginalis set domain proteins, putative 0.0245 0.6597 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0087 0.0087
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.019 0.4921 0.4921
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0155 0.3872 0.6801
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0104 0.2325 1
Brugia malayi hypothetical protein 0.0049 0.0632 0.111
Loa Loa (eye worm) hypothetical protein 0.0031 0.0087 0.0153
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0567 0.0567
Schistosoma mansoni hypothetical protein 0.0357 1 1
Brugia malayi glutathione reductase 0.0041 0.0401 0.0705
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0763 0.0763
Echinococcus multilocularis geminin 0.0357 1 1
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0216 0.5728 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0155 0.3872 0.3872
Schistosoma mansoni hypothetical protein 0.0357 1 1
Brugia malayi PHD-finger family protein 0.0033 0.0149 0.0261
Brugia malayi Pre-SET motif family protein 0.0215 0.5693 1
Schistosoma mansoni hypothetical protein 0.0287 0.789 0.789
Onchocerca volvulus 0.0245 0.6597 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0087 0.0152
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0763 0.0763
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0155 0.3872 0.3872
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0064 0.1089 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0359 0.0359
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0094 0.2006 0.8342
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0149 0.026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0155 0.3872 0.3872
Loa Loa (eye worm) prolyl oligopeptidase 0.019 0.4921 0.8644
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0149 0.1956

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 70 % Cytotoxicity against human Raji cells assessed as cell viability at 1000 molar ratio ChEMBL. 2558164
Activity (ADMET) > 80 % Cytotoxicity against human Raji cells assessed as cell viability at 100 molar ratio ChEMBL. 2558164
Activity (ADMET) > 80 % Cytotoxicity against human Raji cells assessed as cell viability at 500 molar ratio ChEMBL. 2558164
Activity (ADMET) > 80 % Cytotoxicity against human Raji cells assessed as cell viability at 10 molar ratio ChEMBL. 2558164

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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