Detailed information for compound 1722324

Basic information

Technical information
  • TDR Targets ID: 1722324
  • Name: 6847-93-4
  • MW: 321.327 | Formula: C19H15NO4
  • H donors: 0 H acceptors: 1 LogP: 2.79 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1=O)cn1c(c2)c2cc3OCOc3cc2CC1
  • InChi: 1S/C19H15NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,6-9H,4-5,10H2,1H3
  • InChiKey: GLYPKDKODVRYGP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Benzo[g]benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9-hydroxy-10-methoxy-,hydroxide, inner salt
  • NSC294410
  • Berberrubine

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 granulosus cyclic nucleotide gated cation channel 0.0054 0.0489 0.0756
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0063 0.0693 0.1072
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0036 0.0083 0.0129
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0366 0.0566
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0054 0.0489 0.0756
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0054 0.0489 0.082
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0234 0.453 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0036 0.0083 0.0129
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0063 0.0693 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0154 0.2737 0.2737
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0234 0.453 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.0693 0.1072
Schistosoma mansoni voltage-gated potassium channel 0.03 0.6003 0.9279
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0337 0.6852 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0054 0.0489 0.0756
Echinococcus multilocularis hyperpolarization activated cyclic 0.0054 0.0489 0.0756
Loa Loa (eye worm) hypothetical protein 0.0036 0.0083 0.0083
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0036 0.0083 0.0129
Echinococcus granulosus tar DNA binding protein 0.013 0.2197 0.3396
Schistosoma mansoni hypothetical protein 0.0049 0.0366 0.0566
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0234 0.453 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.0693 1
Echinococcus granulosus GPCR family 2 0.0049 0.0366 0.0566
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0036 0.0083 0.0129
Toxoplasma gondii isocitrate dehydrogenase 0.0063 0.0693 0.1372
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0036 0.0083 0.0129
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0036 0.0083 0.0083
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0234 0.453 1
Loa Loa (eye worm) pip kinase 2 0.032 0.6469 0.6469
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.0693 1
Brugia malayi isocitrate dehydrogenase 0.0063 0.0693 0.0693
Echinococcus granulosus cGMP dependent protein kinase 1 0.0036 0.0083 0.0129
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0079 0.1056 0.1056
Schistosoma mansoni tar DNA-binding protein 0.013 0.2197 0.3396
Schistosoma mansoni hypothetical protein 0.0049 0.0366 0.0566
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0036 0.0083 0.0129
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.032 0.6469 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0036 0.0083 0.0129
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0054 0.0489 0.0756
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.1639 0.1639
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0366 0.0566
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0153 0.2717 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0063 0.0693 0.2316
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0234 0.453 0.7002
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0054 0.0489 0.0756
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0036 0.0083 0.0129
Echinococcus multilocularis hyperpolarization activated cyclic 0.0054 0.0489 0.0756
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0036 0.0083 0.0129
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0234 0.453 1
Schistosoma mansoni hypothetical protein 0.0105 0.1639 0.2534
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0083 0.0129
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0036 0.0083 0.0129
Loa Loa (eye worm) isocitrate dehydrogenase 0.0063 0.0693 0.0693
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0054 0.0489 0.0756
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0054 0.0489 0.0756
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.2197 0.2197
Brugia malayi Isocitrate dehydrogenase 0.0063 0.0693 0.0693
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0274 0.5436 0.5436
Schistosoma mansoni voltage-gated potassium channel 0.0079 0.1056 0.1632
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0054 0.0489 0.0756
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.0693 0.1072
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0063 0.0693 0.1372
Brugia malayi RNA recognition motif domain containing protein 0.013 0.2197 0.2197
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0366 0.0366
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.1081 0.2245
Schistosoma mansoni 60S ribosomal protein L21 0.0043 0.0241 0.0373
Schistosoma mansoni voltage-gated potassium channel 0.0054 0.0489 0.0756
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0154 0.2737 0.2737
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0366 0.0566
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0036 0.0083 0.0129
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0079 0.1056 0.1632
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0153 0.2717 1
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.0241 0.0373
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0036 0.0083 0.0129
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0036 0.0083 0.0083
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0234 0.453 0.5
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0036 0.0083 0.0083
Schistosoma mansoni hypothetical protein 0.0049 0.0366 0.0566
Schistosoma mansoni tar DNA-binding protein 0.013 0.2197 0.3396
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0063 0.0693 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0054 0.0489 0.0756
Loa Loa (eye worm) hypothetical protein 0.0105 0.1639 0.1639
Loa Loa (eye worm) hypothetical protein 0.032 0.6469 0.6469
Brugia malayi Probable ClpP-like protease 0.0234 0.453 0.453
Echinococcus granulosus cGMP dependent protein kinase 1 0.0036 0.0083 0.0129
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0036 0.0083 0.0129
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0154 0.2737 0.2737
Onchocerca volvulus 0.032 0.6469 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0234 0.453 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0079 0.1056 0.1632
Schistosoma mansoni tar DNA-binding protein 0.013 0.2197 0.3396
Loa Loa (eye worm) AGC/PKG protein kinase 0.0036 0.0083 0.0083
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0054 0.0489 0.0489
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0153 0.2717 0.5924
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0256 0.503 1
Loa Loa (eye worm) TAR-binding protein 0.013 0.2197 0.2197
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0054 0.0489 0.0756
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.032 0.6469 1
Brugia malayi Egg laying defective protein 4 0.0036 0.0083 0.0083
Echinococcus granulosus cGMP dependent protein kinase 0.0036 0.0083 0.0129
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0256 0.503 1
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0036 0.0083 0.0129
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0234 0.453 0.7002
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0036 0.0083 0.0129
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0366 0.0566
Toxoplasma gondii isocitrate dehydrogenase 0.0063 0.0693 0.1372
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0054 0.0489 0.0756
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0054 0.0489 0.082
Echinococcus granulosus voltage gated potassium channel 0.0079 0.1056 0.1632
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.1081 0.2245
Echinococcus multilocularis expressed conserved protein 0.0036 0.0083 0.0129
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0036 0.0083 0.0129
Toxoplasma gondii hypothetical protein 0.0081 0.1081 0.2245
Echinococcus granulosus peptidase Clp S14 family 0.0153 0.2717 0.42
Brugia malayi Cyclic-nucleotide gated cation channel 0.0054 0.0489 0.0489
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0083 0.0129
Echinococcus multilocularis GPCR, family 2 0.0049 0.0366 0.0566
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0054 0.0489 0.0756
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0274 0.5436 0.8403
Schistosoma mansoni tar DNA-binding protein 0.013 0.2197 0.3396
Echinococcus multilocularis isocitrate dehydrogenase 0.0063 0.0693 0.1072
Echinococcus multilocularis peptidase Clp (S14 family) 0.0153 0.2717 0.42
Loa Loa (eye worm) RNA binding protein 0.013 0.2197 0.2197
Schistosoma mansoni hypothetical protein 0.0049 0.0366 0.0566
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0081 0.1081 0.2245
Schistosoma mansoni tar DNA-binding protein 0.013 0.2197 0.3396
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0366 0.0366
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0036 0.0083 0.0083
Schistosoma mansoni peptidase Clp (S14 family) 0.0234 0.453 0.7002
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0234 0.453 1
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.032 0.6469 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0366 0.0366
Loa Loa (eye worm) hypothetical protein 0.0238 0.4622 0.4622
Schistosoma mansoni voltage-gated potassium channel 0.03 0.6003 0.9279
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0274 0.5436 0.5436
Loa Loa (eye worm) hypothetical protein 0.0036 0.0083 0.0083
Schistosoma mansoni hypothetical protein 0.0036 0.0083 0.0129
Schistosoma mansoni voltage-gated potassium channel 0.0079 0.1056 0.1632
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0083 0.0129
Brugia malayi Pip kinase protein 2 0.032 0.6469 0.6469
Echinococcus multilocularis voltage gated potassium channel 0.0079 0.1056 0.1632
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0063 0.0693 0.1372
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0054 0.0489 0.0756
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.0693 0.1072
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0036 0.0083 0.0129
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0063 0.0693 0.1072
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0234 0.453 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0234 0.453 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.0693 1
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0036 0.0083 0.0129
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0063 0.0693 0.1072
Loa Loa (eye worm) hypothetical protein 0.0079 0.1056 0.1056
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0036 0.0083 0.0129
Echinococcus multilocularis tar DNA binding protein 0.013 0.2197 0.3396
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0036 0.0083 0.0129
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0036 0.0083 0.0129
Loa Loa (eye worm) hypothetical protein 0.0154 0.2737 0.2737
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0036 0.0083 0.0129
Brugia malayi N-terminal motif family protein 0.0036 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0234 0.453 0.453
Giardia lamblia DNA repair protein RAD52 0.0337 0.6852 1
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0366 0.0366
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0036 0.0083 0.0129
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.032 0.6469 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0489 0.0489
Brugia malayi TAR-binding protein 0.013 0.2197 0.2197
Echinococcus granulosus patatin phospholipase domain containing protein 0.0036 0.0083 0.0129
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0234 0.453 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0054 0.0489 0.0489
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.1081 0.2245
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0036 0.0083 0.0129
Brugia malayi RNA binding protein 0.013 0.2197 0.2197
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0274 0.5436 0.8403
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0054 0.0489 0.0756

Activities

Activity type Activity value Assay description Source Reference
Kb (ADMET) Binding affinity to bovine serum albumin by fluorescence quenching assay ChEMBL. 24593257

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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