Detailed information for compound 503457

Basic information

Technical information
  • TDR Targets ID: 503457
  • Name: 2-methoxy-9,10-dihydrophenanthrene-4,5-diol
  • MW: 242.27 | Formula: C15H14O3
  • H donors: 2 H acceptors: 2 LogP: 3.1 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(O)c2c(c1)CCc1c2c(O)ccc1
  • InChi: 1S/C15H14O3/c1-18-11-7-10-6-5-9-3-2-4-12(16)14(9)15(10)13(17)8-11/h2-4,7-8,16-17H,5-6H2,1H3
  • InChiKey: KQMGXHNRKZYDEK-UHFFFAOYSA-N  

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
Echinococcus granulosus nervana 2 0.0065 0.2532 0.4245
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.1113 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.4455 1
Brugia malayi beta-lactamase family protein 0.0035 0.1113 0.5
Mycobacterium leprae Probable lipase LipE 0.0035 0.1113 0.5
Onchocerca volvulus 0.0105 0.4455 1
Echinococcus multilocularis nervana 2 0.0105 0.4455 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.1113 0.1113
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.1113 0.1113
Brugia malayi beta-lactamase family protein 0.0035 0.1113 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.1113 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.1113 0.1113
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0105 0.4455 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.1113 0.1113
Onchocerca volvulus 0.0035 0.1113 0.2498
Echinococcus granulosus nervana 2 0.0065 0.2532 0.4245
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0065 0.2532 0.4245
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1113 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0105 0.4455 1
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0105 0.4455 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0065 0.2532 0.4245
Mycobacterium ulcerans beta-lactamase 0.0035 0.1113 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.1113 0.1113
Onchocerca volvulus 0.0035 0.1113 0.2498
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.1113 0.1113
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1113 1
Schistosoma mansoni transmemberane protein 0.0105 0.4455 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.1113 0.1113
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1113 0.1236
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1113 0.5
Mycobacterium tuberculosis Conserved protein 0.0035 0.1113 0.1113
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0065 0.2532 0.4245
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0105 0.4455 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.1113 0.1113
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1113 0.5
Leishmania major hypothetical protein, conserved 0.0035 0.1113 0.1219
Echinococcus granulosus nervana 2 0.0105 0.4455 1
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0105 0.4455 1
Echinococcus multilocularis nervana 2 0.0105 0.4455 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.4455 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0105 0.4455 1
Onchocerca volvulus 0.0035 0.1113 0.2498
Trichomonas vaginalis esterase, putative 0.0035 0.1113 0.5
Onchocerca volvulus 0.0065 0.2532 0.5683
Schistosoma mansoni hypothetical protein 0.0051 0.1882 0.2301
Brugia malayi beta-lactamase 0.0035 0.1113 0.5
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0105 0.4455 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.1113 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0065 0.2532 0.4245
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.1113 0.1113
Echinococcus multilocularis nervana 2 0.0065 0.2532 0.4245
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1113 0.5
Echinococcus multilocularis nervana 2 0.0065 0.2532 0.4245
Toxoplasma gondii ABC1 family protein 0.0035 0.1113 1
Leishmania major pteridine reductase 1 0.0204 0.9128 1
Trypanosoma brucei pteridine reductase 1 0.0201 0.9001 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1113 0.5
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1113 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1113 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1113 0.5
Mycobacterium leprae conserved hypothetical protein 0.0035 0.1113 0.5
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0105 0.4455 1
Echinococcus granulosus nervana 2 0.0105 0.4455 1
Mycobacterium ulcerans lipase LipD 0.0035 0.1113 1

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) 0 Cytotoxicity against rat hepatocytes at 10 to 100 uM ChEMBL. 18052323
IC50 (functional) > 100 uM Antiproliferative activity against rat HSC-T6 cells after 48 hrs by MTT assay ChEMBL. 18052323

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

1 literature reference was collected for this gene.

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