Detailed information for compound 503454

Basic information

Technical information
  • TDR Targets ID: 503454
  • Name: 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-di ol
  • MW: 272.296 | Formula: C16H16O4
  • H donors: 2 H acceptors: 2 LogP: 3.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c2c(CCc3c2ccc(c3)O)cc(c1OC)O
  • InChi: 1S/C16H16O4/c1-19-15-13(18)8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(15)20-2/h5-8,17-18H,3-4H2,1-2H3
  • InChiKey: NWPBSPADEDDKAO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • erianthridin

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 intermediate filament proteins 0.0082 0.0467 0.0493
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0099 0.0039
Brugia malayi acetyltransferase, GNAT family protein 0.0148 0.104 0.1098
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0062 0.6504
Brugia malayi chromobox protein homolog 3 0.004 0.0099 0.0105
Loa Loa (eye worm) hypothetical protein 0.0081 0.0454 0.0479
Loa Loa (eye worm) hypothetical protein 0.0057 0.025 0.0264
Mycobacterium tuberculosis Conserved protein 0.0183 0.1352 0.1068
Brugia malayi sodium-independent organic anion transporter family protein 0.0057 0.025 0.0264
Brugia malayi secreted modular calcium-binding protein 1 0.0039 0.009 0.0096
Onchocerca volvulus Putative organic anion transporter 0.0057 0.025 0.1703
Echinococcus granulosus lamin 0.0082 0.0467 0.1703
Echinococcus multilocularis lamin 0.0082 0.0467 0.1703
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0183 0.1352 0.113
Trichomonas vaginalis esterase, putative 0.0183 0.1352 0.1371
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0136 0.0936 0.0638
Loa Loa (eye worm) hypothetical protein 0.0183 0.1352 0.1428
Loa Loa (eye worm) hypothetical protein 0.004 0.0099 0.0105
Echinococcus multilocularis geminin 0.0342 0.2741 1
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.009 0.0669
Echinococcus multilocularis expressed protein 0.0039 0.009 0.033
Loa Loa (eye worm) hypothetical protein 0.0057 0.025 0.0264
Mycobacterium ulcerans multidrugs-transport integral membrane protein Mmr-like 0.0788 0.665 0.6917
Schistosoma mansoni organic anion transporter 0.0057 0.025 0.0264
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0062 0.0066
Onchocerca volvulus 0.0057 0.025 0.1703
Echinococcus granulosus beta LACTamase domain containing family member 0.0183 0.1352 0.4934
Mycobacterium tuberculosis Probable hydrolase 0.0183 0.1352 0.1068
Echinococcus granulosus agrin 0.0039 0.009 0.033
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0148 0.104 0.3794
Loa Loa (eye worm) hypothetical protein 0.0057 0.025 0.0264
Echinococcus multilocularis transcription factor btf3 0.0036 0.0062 0.0228
Loa Loa (eye worm) glutaminase 2 0.111 0.9473 1
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0375 0.0332
Onchocerca volvulus 0.0057 0.025 0.1703
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.009 0.0096
Echinococcus multilocularis agrin 0.0039 0.009 0.033
Brugia malayi beta-lactamase family protein 0.0183 0.1352 0.1428
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0062 0.0462
Trypanosoma brucei beta lactamase 0.0065 0.0318 0.2351
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0308 0.2441 0.2577
Onchocerca volvulus 0.0082 0.0467 0.3337
Plasmodium vivax hypothetical protein, conserved 0.0183 0.1352 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0126 0.0772
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0128 0.0069
Mycobacterium tuberculosis Conserved protein 0.0183 0.1352 0.1068
Onchocerca volvulus 0.0057 0.025 0.1703
Mycobacterium ulcerans esterase/lipase LipP 0.0183 0.1352 0.113
Loa Loa (eye worm) hypothetical protein 0.0057 0.025 0.0264
Trypanosoma cruzi MFS transporter, putative 0.0057 0.025 0.1452
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.009 0.0096
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0128 0.0944
Loa Loa (eye worm) hypothetical protein 0.0057 0.025 0.0264
Mycobacterium tuberculosis Probable lipase LipE 0.0183 0.1352 0.1068
Mycobacterium tuberculosis Conserved protein 0.0183 0.1352 0.1068
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0082 0.0467 0.0493
Trypanosoma cruzi hypothetical protein, conserved 0.0183 0.1352 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.025 0.0264
Loa Loa (eye worm) hypothetical protein 0.0183 0.1352 0.1428
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0375 0.0396
Mycobacterium ulcerans hypothetical protein 0.0183 0.1352 0.113
Echinococcus granulosus follistatin 0.0039 0.009 0.033
Loa Loa (eye worm) hypothetical protein 0.0183 0.1352 0.1428
Echinococcus granulosus chromobox protein 1 0.0072 0.0375 0.1368
Loa Loa (eye worm) hypothetical protein 0.0082 0.0467 0.0493
Toxoplasma gondii ABC1 family protein 0.0183 0.1352 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.009 0.0096
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0126 0.0068
Brugia malayi beta-lactamase 0.0183 0.1352 0.1428
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0183 0.1352 0.1428
Schistosoma mansoni lamin 0.0082 0.0467 0.0493
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0128 0.0466
Schistosoma mansoni hypothetical protein 0.0342 0.2741 0.2893
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0312 0.033
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0039 0.009 0.0096
Brugia malayi sodium-independent organic anion transporter family protein 0.0057 0.025 0.0264
Loa Loa (eye worm) hypothetical protein 0.004 0.0095 0.01
Onchocerca volvulus 0.0039 0.009 0.0505
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.009 0.0096
Leishmania major hypothetical protein, conserved 0.0183 0.1352 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0312 0.033
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0312 0.033
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0057 0.025 0.0911
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0096 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0312 0.114
Schistosoma mansoni organic anion transporter 0.0057 0.025 0.0264
Trichomonas vaginalis D-aminoacylase, putative 0.0183 0.1352 0.1371
Loa Loa (eye worm) hypothetical protein 0.0183 0.1352 0.1428
Echinococcus granulosus tar DNA binding protein 0.0064 0.0312 0.114
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0044 0.0133 0.014
Loa Loa (eye worm) hypothetical protein 0.0183 0.1352 0.1428
Brugia malayi Heterochromatin protein 1 0.0072 0.0375 0.0396
Echinococcus multilocularis beta LACTamase domain containing family member 0.0183 0.1352 0.4934
Trichomonas vaginalis glutaminase, putative 0.111 0.9473 1
Loa Loa (eye worm) agrin synaptic family protein 0.0039 0.009 0.0096
Mycobacterium ulcerans beta-lactamase 0.0183 0.1352 0.113
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.009 0.0669
Echinococcus granulosus cytoplasmic intermediate filament protein 0.004 0.0095 0.0346
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0128 0.0944
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0183 0.1352 0.1068
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0096 0.5
Brugia malayi RNA, U transporter 1 0.0082 0.0465 0.0491
Loa Loa (eye worm) intermediate filament protein 0.0082 0.0467 0.0493
Mycobacterium leprae Probable lipase LipE 0.0183 0.1352 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0312 0.033
Echinococcus multilocularis chromobox protein 1 0.0072 0.0375 0.1368
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0057 0.025 0.0911
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0312 0.033
Brugia malayi cytoplasmic intermediate filament protein 0.0044 0.0133 0.014
Brugia malayi Intermediate filament tail domain containing protein 0.0082 0.0467 0.0493
Brugia malayi hypothetical protein 0.0057 0.025 0.0264
Schistosoma mansoni lamin 0.0082 0.0467 0.0493
Mycobacterium tuberculosis Probable lipase LipD 0.0183 0.1352 0.1068
Brugia malayi prostaglandin transporter 0.0057 0.025 0.0264
Echinococcus granulosus intermediate filament protein 0.0082 0.0467 0.1703
Brugia malayi hypothetical protein 0.0057 0.025 0.0264
Loa Loa (eye worm) acetyltransferase 0.0148 0.104 0.1098
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0375 0.0332
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.009 0.0096
Toxoplasma gondii protease inhibitor PI2 0.0039 0.009 0.0669
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.1004 0.3662
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0183 0.1352 0.1428
Loa Loa (eye worm) hypothetical protein 0.0038 0.0082 0.0086
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.009 0.0669
Echinococcus multilocularis musashi 0.0082 0.0467 0.1703
Mycobacterium tuberculosis Probable esterase LipL 0.0183 0.1352 0.1068
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0312 0.033
Brugia malayi beta-lactamase family protein 0.0183 0.1352 0.1428
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0128 0.0069
Toxoplasma gondii transporter, major facilitator family protein 0.0057 0.025 0.1846
Trichomonas vaginalis D-aminoacylase, putative 0.0183 0.1352 0.1371
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.004 0.0095 0.0346
Brugia malayi RNA binding protein 0.0064 0.0312 0.033
Trichomonas vaginalis penicillin-binding protein, putative 0.0183 0.1352 0.1371
Brugia malayi glutaminase DH11.1 0.111 0.9473 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.025 0.0264
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0183 0.1352 0.1428
Schistosoma mansoni chromobox protein 0.0072 0.0375 0.0396
Mycobacterium ulcerans multidrug-transport integral membrane protein Mmr 0.0199 0.1486 0.1276
Echinococcus granulosus chromobox protein 1 0.0072 0.0375 0.1368
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0057 0.025 0.0911
Echinococcus multilocularis follistatin 0.0039 0.009 0.033
Echinococcus multilocularis chromobox protein 1 0.0072 0.0375 0.1368
Echinococcus multilocularis snurportin 1 0.0308 0.2441 0.8905
Onchocerca volvulus 0.0183 0.1352 1
Schistosoma mansoni hypothetical protein 0.0053 0.0209 0.022
Brugia malayi sodium-independent organic anion transporter family protein 0.0057 0.025 0.0264
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0099 0.0039
Brugia malayi TAR-binding protein 0.0064 0.0312 0.033
Echinococcus granulosus Solute carrier organic anion transporter family 0.0057 0.025 0.0911
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.009 0.0669
Schistosoma mansoni hypothetical protein 0.0308 0.2441 0.2577
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0148 0.104 0.1098
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0062 0.0462
Onchocerca volvulus 0.0183 0.1352 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0183 0.1352 0.1068
Loa Loa (eye worm) RNA binding protein 0.0064 0.0312 0.033
Schistosoma mansoni follistatin 0.0039 0.009 0.0096
Loa Loa (eye worm) hypothetical protein 0.0183 0.1352 0.1428
Echinococcus granulosus transcription factor btf3 0.0036 0.0062 0.0228
Brugia malayi beta-NAC-like protein 0.0036 0.0062 0.0066
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0099 0.0571
Mycobacterium ulcerans glutaminase 0.111 0.9473 1
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0126 0.0068
Trichomonas vaginalis D-aminoacylase, putative 0.0183 0.1352 0.1371
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0312 0.033
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0057 0.025 0.0264
Schistosoma mansoni transcription factor btf3 0.0036 0.0062 0.0066
Loa Loa (eye worm) hypothetical protein 0.0038 0.0082 0.0086
Loa Loa (eye worm) hypothetical protein 0.0039 0.009 0.0096
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0183 0.1352 0.1428
Onchocerca volvulus 0.0057 0.025 0.1703
Loa Loa (eye worm) hypothetical protein 0.0039 0.009 0.0096
Onchocerca volvulus Putative organic anion transporter 0.0057 0.025 0.1703
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0312 0.033
Loa Loa (eye worm) beta-lactamase 0.0183 0.1352 0.1428
Mycobacterium ulcerans lipase LipD 0.0183 0.1352 0.113
Echinococcus multilocularis lamin dm0 0.0082 0.0467 0.1703
Echinococcus granulosus snurportin 1 0.0308 0.2441 0.8905
Onchocerca volvulus 0.0082 0.0467 0.3337
Schistosoma mansoni agrin 0.0039 0.009 0.0096
Mycobacterium leprae conserved hypothetical protein 0.0183 0.1352 1
Loa Loa (eye worm) glutaminase 0.111 0.9473 1
Schistosoma mansoni glutaminase 0.111 0.9473 1
Onchocerca volvulus Putative organic anion transporter 0.0057 0.025 0.1703
Loa Loa (eye worm) hypothetical protein 0.0031 0.0023 0.0025
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0128 0.0944
Onchocerca volvulus 0.0183 0.1352 1
Echinococcus granulosus geminin 0.0342 0.2741 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0183 0.1352 0.1371
Schistosoma mansoni hypothetical protein 0.0342 0.2741 0.2893
Brugia malayi SPARC precursor 0.0039 0.009 0.0096
Brugia malayi intermediate filament protein 0.0082 0.0467 0.0493
Echinococcus granulosus lamin dm0 0.0082 0.0467 0.1703
Loa Loa (eye worm) hypothetical protein 0.0039 0.009 0.0096
Schistosoma mansoni chromobox protein 0.0072 0.0375 0.0396
Onchocerca volvulus 0.0057 0.025 0.1703
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0062 0.0462
Trypanosoma brucei hypothetical protein, conserved 0.0183 0.1352 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0136 0.0936 0.0675
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0183 0.1352 0.1068
Trypanosoma cruzi hypothetical protein, conserved 0.0183 0.1352 1
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0096 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) = 19.5 uM Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced NO production ChEMBL. 20483604
IC50 (functional) = 44.6 uM Cytotoxicity against human HL60 cells after 72 hrs by WST8 assay ChEMBL. 22537363
IC50 (functional) = 73.2 uM Antiproliferative activity against rat HSC-T6 cells after 48 hrs by MTT assay ChEMBL. 18052323

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 20483604

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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