Detailed information for compound 44745

Basic information

Technical information
  • TDR Targets ID: 44745
  • Name: Morphinan-6-one, 4-methoxy-N-methyl-
  • MW: 285.381 | Formula: C18H23NO2
  • H donors: 0 H acceptors: 1 LogP: 2.29 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1C13CCN(C(C2)C3CCC(=O)C1)C
  • InChi: 1S/C18H23NO2/c1-19-9-8-18-11-13(20)6-7-14(18)15(19)10-12-4-3-5-16(21-2)17(12)18/h3-5,14-15H,6-11H2,1-2H3
  • InChiKey: IADSKKCDIYLTIM-UHFFFAOYSA-N  

Network

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Synonyms

  • Morphinan-6-one, N-methyl-4-methoxy-

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 multilocularis endonuclease exonuclease phosphatase 0.0191 0.3188 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0501 0.0985
Brugia malayi Intermediate filament tail domain containing protein 0.006 0.0747 0.0747
Loa Loa (eye worm) hypothetical protein 0.0176 0.2923 0.2923
Loa Loa (eye worm) MIR domain-containing protein 0.0034 0.0252 0.0252
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0623 0.1955
Loa Loa (eye worm) hypothetical protein 0.0207 0.35 0.35
Leishmania major hypothetical protein, conserved 0.0124 0.1946 1
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.6429 0.6421
Brugia malayi mbt repeat family protein 0.0047 0.0501 0.0501
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.6429 0.6421
Trichomonas vaginalis glucosylceramidase, putative 0.0554 1 1
Brugia malayi cation channel family protein 0.0332 0.5831 0.5831
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0022 0.5
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.0321 0.5563
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.006 0.0747 0.0747
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0187 0.0368
Brugia malayi AMP-binding enzyme family protein 0.005 0.0561 0.0561
Loa Loa (eye worm) hypothetical protein 0.0036 0.0281 0.0281
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0501 0.0985
Loa Loa (eye worm) hypothetical protein 0.0028 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.005 0.0561 0.0561
Trichomonas vaginalis mannosyltransferase 1, putative 0.0034 0.0252 0.0231
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0217 0.3681 0.3681
Trichomonas vaginalis glucosylceramidase, putative 0.0383 0.6796 0.6789
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0187 0.0586
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0561 0.5
Loa Loa (eye worm) hypothetical protein 0.0059 0.0726 0.0726
Loa Loa (eye worm) hypothetical protein 0.0038 0.0321 0.0321
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.0561 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0281 0.0281
Trichomonas vaginalis glucosylceramidase, putative 0.0554 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0187 0.0586
Loa Loa (eye worm) ryanodine receptor 0.0059 0.0712 0.0712
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0561 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0561 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0623 0.1226
Loa Loa (eye worm) hypothetical protein 0.0211 0.3575 0.3575
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0022 0.0022
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0561 1
Schistosoma mansoni ryanodine receptor related 0.0217 0.3681 0.7242
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0022 0.0068
Schistosoma mansoni ap endonuclease 0.0022 0.0022 0.0042
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0501 0.0501
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.6429 0.6421
Echinococcus granulosus lamin dm0 0.006 0.0747 0.2342
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0187 1
Brugia malayi MIR domain containing protein 0.0034 0.0252 0.0252
Loa Loa (eye worm) hypothetical protein 0.0052 0.059 0.059
Plasmodium falciparum acyl-CoA synthetase 0.0038 0.0321 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0187 0.5514
Schistosoma mansoni hypothetical protein 0.0036 0.0281 0.0553
Loa Loa (eye worm) MBCTL1 0.0054 0.0623 0.0623
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0166 0.052
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.2198 0.2198
Loa Loa (eye worm) hypothetical protein 0.0038 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.0038 0.0321 0.0321
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0561 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0561 0.0561
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.0561 1
Entamoeba histolytica MIR domain protein 0.0034 0.0252 0.4268
Loa Loa (eye worm) hypothetical protein 0.0038 0.0321 0.0321
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.3605 0.3605
Echinococcus granulosus intermediate filament protein 0.006 0.0747 0.2342
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0183 0.3044 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0187 0.0368
Trichomonas vaginalis glucosylceramidase, putative 0.0554 1 1
Brugia malayi AMP-binding enzyme family protein 0.005 0.0561 0.0561
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0283 0.4847
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0059 0.0712 0.1402
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0554 1 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0623 0.1955
Brugia malayi mbt repeat family protein 0.0047 0.0501 0.0501
Echinococcus multilocularis stromal cell derived factor 2 0.0034 0.0252 0.0789
Loa Loa (eye worm) hypothetical protein 0.0047 0.0501 0.0501
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0501 0.157
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.2198 0.2198
Brugia malayi MH2 domain containing protein 0.0138 0.2198 0.2198
Loa Loa (eye worm) hypothetical protein 0.0029 0.0161 0.0161
Trichomonas vaginalis set domain proteins, putative 0.0242 0.4156 0.4143
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0501 0.157
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.6429 0.6421
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.059 0.059
Schistosoma mansoni inositol 145-trisphosphate receptor 0.027 0.4672 0.9193
Schistosoma mansoni intermediate filament proteins 0.006 0.0747 0.1469
Schistosoma mansoni lamin 0.006 0.0747 0.1469
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0187 0.0368
Loa Loa (eye worm) hypothetical protein 0.0155 0.2522 0.2522
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0623 0.1955
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.0561 1
Loa Loa (eye worm) intermediate filament protein 0.006 0.0747 0.0747
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0283 0.4847
Onchocerca volvulus 0.006 0.0747 0.1161
Echinococcus granulosus lamin 0.006 0.0747 0.2342
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.006 0.0747 0.0747
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0183 0.3044 1
Schistosoma mansoni ap endonuclease 0.0022 0.0022 0.0042
Trichomonas vaginalis glucosylceramidase, putative 0.0383 0.6796 0.6789
Brugia malayi intermediate filament protein 0.006 0.0747 0.0747
Echinococcus multilocularis lamin 0.006 0.0747 0.2342
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.059 0.059
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.0561 1
Onchocerca volvulus 0.005 0.0561 0.0872
Echinococcus multilocularis lamin dm0 0.006 0.0747 0.2342
Loa Loa (eye worm) hypothetical protein 0.0031 0.0187 0.0187
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0029 0.0161 0.0505
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.0561 1
Brugia malayi cytoplasmic intermediate filament protein 0.0032 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.005 0.0561 0.0561
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0187 0.0368
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0561 0.2801
Onchocerca volvulus 0.006 0.0747 0.1161
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.6429 0.6421
Loa Loa (eye worm) hypothetical protein 0.0028 0.014 0.014
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0029 0.0161 0.0505
Plasmodium vivax acyl-CoA synthetase, putative 0.0038 0.0321 1
Echinococcus multilocularis ryanodine receptor 44f 0.0155 0.2522 0.7912
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0032 0.0221 0.0221
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0022 0.5
Schistosoma mansoni lamin 0.006 0.0747 0.1469
Onchocerca volvulus 0.0034 0.0252 0.0391
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0283 0.4847
Echinococcus granulosus ryanodine receptor 44f 0.0155 0.2522 0.7912
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.059 0.059
Brugia malayi AMP-binding enzyme family protein 0.005 0.0561 0.0561
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.0561 1
Echinococcus multilocularis ryanodine receptor 44f 0.012 0.1871 0.5869
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0561 0.2801
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0022 0.0068
Onchocerca volvulus 0.0242 0.4156 0.6465
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.6429 0.6421
Trichomonas vaginalis glucosylceramidase, putative 0.0363 0.6429 0.6421
Mycobacterium ulcerans hypothetical protein 0.005 0.0561 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0283 0.4847
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0187 0.0586
Trichomonas vaginalis glucosylceramidase, putative 0.0554 1 1
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0034 0.0252 0.0495
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0501 0.157
Echinococcus granulosus ryanodine receptor 44f 0.012 0.1871 0.5869
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0038 0.0321 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0623 0.1955
Echinococcus granulosus stromal cell derived factor 2 0.0034 0.0252 0.0789
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0561 1
Schistosoma mansoni hypothetical protein 0.0292 0.5083 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0191 0.3188 1
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0501 0.157
Onchocerca volvulus 0.0047 0.0501 0.0779
Onchocerca volvulus Glucosylceramidase homolog 0.0363 0.6429 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0501 0.0985
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0022 0.5
Brugia malayi Pre-SET motif family protein 0.0031 0.0187 0.0187
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0022 0.0022
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0038 0.0321 0.5563
Loa Loa (eye worm) hypothetical protein 0.0038 0.0321 0.0321
Trichomonas vaginalis glucosylceramidase, putative 0.0554 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0623 0.0623
Onchocerca volvulus 0.0031 0.0187 0.0291
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0561 1
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0561 0.2801
Brugia malayi Pre-SET motif family protein 0.0213 0.3605 0.3605
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0176 0.2923 0.5751
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0501 0.0779
Trichomonas vaginalis glucosylceramidase, putative 0.0554 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0561 1
Echinococcus multilocularis musashi 0.006 0.0747 0.2342

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.21 mg kg-1 Antinociceptive activity of the compound determined in acetic acid induced mouse writhing test ChEMBL. 7310820
ED50 (functional) = 0.21 mg kg-1 Antinociceptive activity of the compound determined in acetic acid induced mouse writhing test ChEMBL. 7310820

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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