Detailed information for compound 1075518

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.325 | Formula: C16H19NO7
  • H donors: 3 H acceptors: 4 LogP: 0.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc2c1c(ccn2)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
  • InChi: 1S/C16H19NO7/c1-21-8-5-9-13(12(6-8)22-2)11(3-4-17-9)24-16-15(20)14(19)10(18)7-23-16/h3-6,10,14-16,18-20H,7H2,1-2H3/t10-,14+,15-,16+/m1/s1
  • InChiKey: IMDFMRLWEHGYQN-NWLYGAKOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 tuberculosis Probable esterase/lipase LipP 0.004 0.0726 0.1183
Schistosoma mansoni alpha-glucosidase 0.0298 0.6898 0.6885
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0257 0.0296
Echinococcus granulosus cpg binding protein 0.0032 0.0537 0.0537
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.1613 1
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0155 0.0155
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0155 0.0155
Loa Loa (eye worm) cytochrome P450 0.0011 0.0041 0.0047
Loa Loa (eye worm) RNA binding protein 0.007 0.1446 0.1664
Loa Loa (eye worm) hypothetical protein 0.0016 0.0155 0.0178
Toxoplasma gondii exonuclease III APE 0.004 0.0733 0.4401
Brugia malayi TAR-binding protein 0.007 0.1446 0.1755
Loa Loa (eye worm) hypothetical protein 0.0374 0.8693 1
Schistosoma mansoni ap endonuclease 0.004 0.0733 0.0695
Onchocerca volvulus 0.004 0.0726 0.0645
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.13 0.1265
Onchocerca volvulus 0.0201 0.4562 1
Echinococcus granulosus tar DNA binding protein 0.007 0.1446 0.1446
Schistosoma mansoni tar DNA-binding protein 0.007 0.1446 0.1411
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.1231 0.1231
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0155 0.0155
Trichomonas vaginalis maltase-glucoamylase, putative 0.0077 0.1613 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0155 0.0155
Schistosoma mansoni jumonji domain containing protein 0.0059 0.119 0.1154
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.1613 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0726 0.0835
Loa Loa (eye worm) hypothetical protein 0.004 0.0726 0.0835
Leishmania major alpha glucosidase II subunit, putative 0.0077 0.1613 1
Brugia malayi jmjC domain containing protein 0.0061 0.1231 0.1486
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.21 0.21
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0733 0.2354
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0726 0.4358
Brugia malayi jmjC domain containing protein 0.0016 0.0155 0.0142
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0155 0.0724
Brugia malayi RNA binding protein 0.007 0.1446 0.1755
Onchocerca volvulus 0.004 0.0726 0.0645
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0155 0.0114
Echinococcus multilocularis 0.0011 0.0041 0.0041
Entamoeba histolytica hypothetical protein 0.0074 0.1532 0.9291
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0733 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.1613 1
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0155 0.0724
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.5836 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0726 0.2296
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0726 0.1183
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.1231 0.1195
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.0462 0.2677
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0733 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0733 0.4401
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0496 0.057
Leishmania major cytochrome p450-like protein 0.002 0.0257 0.1378
Entamoeba histolytica hypothetical protein 0.0074 0.1532 0.9291
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0257 0.1378
Brugia malayi Glycosyl hydrolases family 31 protein 0.0347 0.805 1
Trypanosoma brucei glucosidase, putative 0.0077 0.1613 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.1231 0.1416
Loa Loa (eye worm) hypothetical protein 0.0135 0.3004 0.3456
Leishmania major glycosyl hydrolase-like protein 0.0029 0.0462 0.2677
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.1613 1
Brugia malayi RNA recognition motif domain containing protein 0.007 0.1446 0.1755
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0726 0.0688
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0733 0.2354
Loa Loa (eye worm) hypothetical protein 0.0029 0.0462 0.0531
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.1532 0.1532
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0733 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0374 0.8693 0.8687
Brugia malayi Glycosyl hydrolases family 31 protein 0.0029 0.0462 0.0526
Echinococcus multilocularis lysosomal alpha glucosidase 0.0347 0.805 0.805
Onchocerca volvulus Huntingtin homolog 0.0135 0.3004 0.6201
Trichomonas vaginalis sucrase-isomaltase, putative 0.0077 0.1613 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0733 0.0843
Onchocerca volvulus 0.003 0.0496 0.0083
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0155 0.0114
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0726 0.0726
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0257 0.1378
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.1613 1
Brugia malayi beta-lactamase family protein 0.004 0.0726 0.0856
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0733 0.4401
Brugia malayi beta-lactamase family protein 0.004 0.0726 0.0856
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0726 0.4358
Mycobacterium ulcerans hypothetical protein 0.004 0.0726 0.9903
Mycobacterium tuberculosis Conserved protein 0.004 0.0726 0.1183
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.119 0.119
Schistosoma mansoni tar DNA-binding protein 0.007 0.1446 0.1411
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0195 0.0195
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.1138 0.6975
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0155 0.0114
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.21 0.2068
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0155 0.0114
Onchocerca volvulus Huntingtin homolog 0.0135 0.3004 0.6201
Schistosoma mansoni tar DNA-binding protein 0.007 0.1446 0.1411
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0155 0.0178
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0726 0.1183
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0726 0.0688
Loa Loa (eye worm) hypothetical protein 0.0016 0.0155 0.0178
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.1613 1
Brugia malayi jmjC domain containing protein 0.0016 0.0155 0.0142
Brugia malayi jmjC domain containing protein 0.0016 0.0155 0.0142
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0726 0.1183
Brugia malayi jmjC domain containing protein 0.0016 0.0155 0.0142
Plasmodium vivax hypothetical protein, conserved 0.004 0.0726 0.9884
Mycobacterium ulcerans lipase LipD 0.004 0.0726 0.9903
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0077 0.1613 1
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0726 0.1183
Echinococcus granulosus hormone sensitive lipase 0.0374 0.8693 0.8693
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0257 0.0296
Schistosoma mansoni alpha glucosidase 0.0077 0.1613 0.1579
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0155 0.0178
Mycobacterium tuberculosis Conserved protein 0.004 0.0726 0.1183
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.119 0.119
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.1613 1
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0726 0.1183
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.21 0.21
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.21 0.21
Brugia malayi jmjC domain containing protein 0.0059 0.119 0.1435
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0155 0.0155
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.1613 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0155 0.0724
Mycobacterium tuberculosis Conserved protein 0.004 0.0726 0.1183
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.0041 0.0041
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.1532 0.1497
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.21 0.2572
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.21 0.2416
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.1613 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0726 0.0835
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0726 0.2296
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0155 0.0155
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.119 0.119
Echinococcus granulosus neutral alpha glucosidase AB 0.0077 0.1613 0.1613
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.1231 0.1195
Loa Loa (eye worm) hypothetical protein 0.0135 0.3004 0.3456
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0726 0.0726
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0733 0.4401
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0155 0.0155
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0733 0.0733
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.1532 0.1532
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0726 0.4358
Leishmania major hypothetical protein, conserved 0.004 0.0726 0.4358
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0726 0.2296
Entamoeba histolytica hypothetical protein 0.0074 0.1532 0.9291
Mycobacterium leprae Probable lipase LipE 0.004 0.0726 1
Schistosoma mansoni cpg binding protein 0.0032 0.0537 0.0498
Entamoeba histolytica hypothetical protein 0.0074 0.1532 0.9291
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0733 0.4401
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0733 0.2354
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0513 0.059
Schistosoma mansoni ap endonuclease 0.004 0.0733 0.0695
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0733 0.0864
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0726 0.9903
Schistosoma mansoni tar DNA-binding protein 0.007 0.1446 0.1411
Mycobacterium leprae conserved hypothetical protein 0.004 0.0726 1
Trypanosoma brucei glycosyl hydrolase-like protein 0.0029 0.0462 0.2677
Brugia malayi hypothetical protein 0.0074 0.1532 0.1862
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0374 0.8693 0.8687
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0726 0.2296
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0733 0.0733
Echinococcus multilocularis cpg binding protein 0.0032 0.0537 0.0537
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.21 0.21
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0155 0.0724
Mycobacterium ulcerans beta-lactamase 0.004 0.0726 0.9903
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0155 0.0178
Trichomonas vaginalis esterase, putative 0.004 0.0726 0.2296
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.0155 0.0724
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.1613 1
Loa Loa (eye worm) beta-lactamase 0.004 0.0726 0.0835
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0374 0.8693 0.8687
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.1613 1
Echinococcus multilocularis hormone sensitive lipase 0.0374 0.8693 0.8693
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0726 0.9903
Loa Loa (eye worm) hypothetical protein 0.004 0.0726 0.0835
Onchocerca volvulus 0.004 0.0726 0.0645
Loa Loa (eye worm) TAR-binding protein 0.007 0.1446 0.1664
Loa Loa (eye worm) hypothetical protein 0.004 0.0726 0.0835
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0733 0.5
Schistosoma mansoni cpg binding protein 0.003 0.0496 0.0457
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.0462 0.2677
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0733 1
Brugia malayi Cytochrome P450 family protein 0.002 0.0257 0.0271
Echinococcus multilocularis lysosomal alpha glucosidase 0.0347 0.805 0.805
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0733 0.1194
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0726 0.0856
Trypanosoma brucei cytochrome P450, putative 0.002 0.0257 0.1378
Loa Loa (eye worm) hypothetical protein 0.004 0.0726 0.0835
Brugia malayi hypothetical protein 0.0135 0.3004 0.37
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.21 0.2068
Echinococcus granulosus phd:f box containing protein 0.0016 0.0155 0.0155
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.0257 0.3131
Toxoplasma gondii ABC1 family protein 0.004 0.0726 0.4358
Brugia malayi CXXC zinc finger family protein 0.003 0.0496 0.0568
Echinococcus multilocularis tar DNA binding protein 0.007 0.1446 0.1446
Echinococcus multilocularis neutral alpha glucosidase AB 0.0077 0.1613 0.1613
Brugia malayi beta-lactamase 0.004 0.0726 0.0856
Brugia malayi Cytochrome P450 family protein 0.002 0.0257 0.0271
Schistosoma mansoni tar DNA-binding protein 0.007 0.1446 0.1411
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.21 0.2068
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0347 0.805 0.9261
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0726 0.1183
Brugia malayi Cytochrome P450 family protein 0.0031 0.0513 0.0589
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0733 0.5
Schistosoma mansoni alpha-glucosidase 0.0298 0.6898 0.6885
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0726 0.2296
Leishmania major hypothetical protein, conserved 0.0016 0.0155 0.0724
Loa Loa (eye worm) hypothetical protein 0.0016 0.0155 0.0178
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0077 0.1613 0.1856
Brugia malayi Glycosyl hydrolases family 31 protein 0.0077 0.1613 0.1964
Schistosoma mansoni hypothetical protein 0.0074 0.1532 0.1497
Schistosoma mansoni cpg binding protein 0.0032 0.0537 0.0498
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.1446 0.1664
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0155 0.0114
Echinococcus granulosus lysosomal alpha glucosidase 0.0347 0.805 0.805
Loa Loa (eye worm) CYP4Cod1 0.002 0.0257 0.0296
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.004 0.0726 0.0835

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.