Detailed information for compound 806856

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 379.406 | Formula: C22H21NO5
  • H donors: 0 H acceptors: 1 LogP: 3.25 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc2c1OCCN(C2)C(=O)c1ccoc1)c1ccccc1OC
  • InChi: 1S/C22H21NO5/c1-25-19-6-4-3-5-18(19)16-11-17-13-23(22(24)15-7-9-27-14-15)8-10-28-21(17)20(12-16)26-2/h3-7,9,11-12,14H,8,10,13H2,1-2H3
  • InChiKey: IMBVBTUSJWMBIM-UHFFFAOYSA-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
Schistosoma mansoni hypothetical protein 0.0018 0.007 0.0122
Loa Loa (eye worm) hypothetical protein 0.0055 0.0553 0.1496
Schistosoma mansoni transcription factor LCR-F1 0.004 0.036 0.0912
Echinococcus multilocularis snurportin 1 0.0301 0.3699 0.3695
Schistosoma mansoni intermediate filament proteins 0.0026 0.0181 0.0425
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0067 0.0699 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0175 0.0473
Echinococcus granulosus Niemann Pick C1 protein 0.011 0.1257 0.2667
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0047 0.045 0.1216
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.007 0.0188
Echinococcus multilocularis sterol regulatory element binding protein 0.0047 0.045 0.0444
Loa Loa (eye worm) hypothetical protein 0.0026 0.0181 0.0489
Brugia malayi intermediate filament protein 0.0026 0.0181 0.1023
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0559 0.3488
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.05 0.1352
Brugia malayi hypothetical protein 0.004 0.036 0.2189
Echinococcus multilocularis lamin dm0 0.0026 0.0181 0.0175
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0204 0.0198
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.007 0.0064
Schistosoma mansoni patched 1 0.0047 0.045 0.1157
Schistosoma mansoni hypothetical protein 0.0018 0.007 0.0122
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0109 0.0113
Echinococcus multilocularis musashi 0.0026 0.0181 0.0175
Echinococcus multilocularis protein patched 0.0047 0.045 0.0444
Loa Loa (eye worm) hypothetical protein 0.0038 0.0333 0.0899
Entamoeba histolytica hypothetical protein 0.004 0.036 0.2185
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.1558 0.4211
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0333 0.2011
Schistosoma mansoni hypothetical protein 0.0018 0.007 0.0122
Loa Loa (eye worm) hypothetical protein 0.0056 0.0559 0.1511
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.036 0.0354
Toxoplasma gondii melibiase subfamily protein 0.01 0.1126 0.1474
Loa Loa (eye worm) hypothetical protein 0.0067 0.0699 0.1889
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0109 0.0553
Loa Loa (eye worm) hypothetical protein 0.0018 0.007 0.0188
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0559 0.1511
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0597 0.7494 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0158 0.1864 0.1859
Schistosoma mansoni hypothetical protein 0.004 0.036 0.0912
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1126 0.2998
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.0699 0.1834
Schistosoma mansoni lamin 0.0026 0.0181 0.0425
Leishmania major importin beta-1 subunit, putative 0.0023 0.0136 1
Plasmodium vivax importin-beta 2, putative 0.0028 0.0204 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0136 0.0459
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0109 0.0219
Plasmodium falciparum importin beta, putative 0.0028 0.0204 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.05 0.1294
Echinococcus multilocularis GPCR, family 2 0.0018 0.007 0.0064
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0136 0.0459
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0109 0.0103
Echinococcus granulosus GPCR family 2 0.0018 0.007 0.0135
Schistosoma mansoni importin beta-1 0.0028 0.0204 0.0489
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1126 0.2998
Schistosoma mansoni hypothetical protein 0.0038 0.0333 0.0838
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.01 0.1126 0.1121
Echinococcus granulosus intermediate filament protein 0.0026 0.0181 0.0373
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.3699 1
Entamoeba histolytica hypothetical protein 0.004 0.036 0.2185
Brugia malayi Latrophilin receptor protein 2 0.0018 0.007 0.0297
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.05 0.3104
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.007 0.0064
Echinococcus granulosus Protein patched homolog 1 0.0047 0.045 0.0946
Echinococcus granulosus Niemann Pick C1 protein 0.0158 0.1864 0.3961
Echinococcus multilocularis Niemann Pick C1 protein 0.011 0.1257 0.1252
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.007 0.0135
Toxoplasma gondii pantoate-beta-alanine ligase 0.0597 0.7494 1
Echinococcus multilocularis expressed conserved protein 0.0104 0.1171 0.1166
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1126 0.2998
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0109 0.5
Schistosoma mansoni ran 0.0021 0.0109 0.0229
Echinococcus granulosus lamin dm0 0.0026 0.0181 0.0373
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.05 0.1053
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0559 0.3488
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0204 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.05 0.1294
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0112 0.1279 0.3413
Echinococcus granulosus importin subunit beta 1 0.0028 0.0204 0.0423
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.036 0.0754
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0136 0.0459
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0024 0.0065
Brugia malayi Importin beta-1 subunit 0.0028 0.0204 0.1175
Brugia malayi Niemann-Pick C1 protein precursor 0.011 0.1257 0.804
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.01 0.1126 0.2388
Schistosoma mansoni lamin 0.0026 0.0181 0.0425
Brugia malayi MH2 domain containing protein 0.0134 0.1558 1
Schistosoma mansoni hypothetical protein 0.0046 0.0428 0.1098
Echinococcus granulosus snurportin 1 0.0301 0.3699 0.7875
Entamoeba histolytica hypothetical protein 0.004 0.036 0.2185
Echinococcus granulosus expressed conserved protein 0.0104 0.1171 0.2485
Loa Loa (eye worm) hypothetical protein 0.0058 0.0586 0.1585
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.05 0.1294
Echinococcus multilocularis lamin 0.0026 0.0181 0.0175
Echinococcus multilocularis tumor protein p63 0.0379 0.4695 0.4692
Schistosoma mansoni ran 0.0021 0.0109 0.0229
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0597 0.7494 0.5
Schistosoma mansoni hypothetical protein 0.0046 0.0428 0.1098
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0204 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.05 0.1053
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.007 0.0297
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0136 1
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.1558 0.4211
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.0699 0.1834
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.05 0.0494
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0017
Loa Loa (eye worm) hypothetical protein 0.0047 0.045 0.1216
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0181 0.1023
Brugia malayi RNA, U transporter 1 0.008 0.087 0.5518
Echinococcus granulosus tumor protein p63 0.0379 0.4695 1
Echinococcus granulosus sterol regulatory element binding protein 0.0047 0.045 0.0946
Schistosoma mansoni hypothetical protein 0.0018 0.007 0.0122
Echinococcus multilocularis protein dispatched 1 0.0054 0.0536 0.053
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0109 0.0295
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0204 0.024
Echinococcus granulosus lamin 0.0026 0.0181 0.0373
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.05 0.0494
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0553 0.1439
Loa Loa (eye worm) hypothetical protein 0.011 0.1257 0.3398
Brugia malayi Melibiase family protein 0.0067 0.0699 0.4399
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0597 0.7494 0.5
Entamoeba histolytica hypothetical protein 0.004 0.036 0.2185
Echinococcus multilocularis Glycoside hydrolase, family 27 0.01 0.1126 0.1121
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.007 0.0135
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1126 0.2998
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0181 0.0489
Loa Loa (eye worm) hypothetical protein 0.0028 0.0204 0.0552
Schistosoma mansoni hypothetical protein 0.0301 0.3699 1
Entamoeba histolytica hypothetical protein 0.0023 0.0136 0.0236
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.045 0.5781
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.011 0.1257 1
Onchocerca volvulus 0.0055 0.0553 1
Brugia malayi CHE-14 protein 0.0047 0.045 0.2777
Schistosoma mansoni hypothetical protein 0.0046 0.0428 0.1098
Schistosoma mansoni hypothetical protein 0.0046 0.0428 0.1098
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0181 0.0489

Activities

No activities found for this compound.

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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