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  


Substructure search Similarity search

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

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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