Detailed information for compound 1185799

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 271.354 | Formula: C17H21NO2
  • H donors: 1 H acceptors: 1 LogP: 1.82 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1[C@@]13CCN[C@H](C2)[C@@H]3CCC(=O)C1
  • InChi: 1S/C17H21NO2/c1-20-15-4-2-3-11-9-14-13-6-5-12(19)10-17(13,16(11)15)7-8-18-14/h2-4,13-14,18H,5-10H2,1H3/t13-,14+,17-/m0/s1
  • InChiKey: XRMNYINHOKAXSO-VBQJREDUSA-N  


Substructure search Similarity search

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

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 50 % Inhibition of electric eel AChE at 500 uM by Ellman's method ChEMBL. 20580236

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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