Detailed information for compound 104541

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.511 | Formula: C26H27N3O3
  • H donors: 0 H acceptors: 2 LogP: 5.94 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(c1cccc2c1cccc2)c1nccc(n1)c1c(OC)cc(cc1OC)OC
  • InChi: 1S/C26H27N3O3/c1-5-15-29(22-12-8-10-18-9-6-7-11-20(18)22)26-27-14-13-21(28-26)25-23(31-3)16-19(30-2)17-24(25)32-4/h6-14,16-17H,5,15H2,1-4H3
  • InChiKey: QUQBMWUEUPLHNF-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
Brugia malayi Doublecortin family protein 0.0163 0.0421 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0037 0.0093
Brugia malayi Protein kinase domain containing protein 0.0071 0.0051 0.1212
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0124 0.0261 1
Brugia malayi hypothetical protein 0.0071 0.0048 0.1148
Brugia malayi Protein kinase domain containing protein 0.0129 0.0283 0.6722
Onchocerca volvulus Putative sulfate transporter 0.0426 0.1479 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0163 0.0421 0.1972
Brugia malayi hypothetical protein 0.0163 0.0421 1
Brugia malayi bZIP transcription factor family protein 0.0094 0.0141 0.335
Brugia malayi RNA binding protein 0.0068 0.0037 0.0882
Echinococcus multilocularis lipoxygenase domain containing protein 0.0163 0.0421 0.1972
Loa Loa (eye worm) hypothetical protein 0.0122 0.0255 0.6063
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0037 0.0882
Loa Loa (eye worm) RNA binding protein 0.0068 0.0037 0.0882
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0589 0.2135 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1053 0.4005 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0037 0.0093
Loa Loa (eye worm) hypothetical protein 0.0122 0.0255 0.6063
Echinococcus multilocularis serotonin receptor 0.0122 0.0255 0.1195
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0124 0.0261 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0129 0.0283 0.1325
Echinococcus multilocularis jun protein 0.0094 0.0141 0.0661
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0539 0.1936 0.031
Loa Loa (eye worm) doublecortin family protein 0.0163 0.0421 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0589 0.2135 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0094 0.0141 0.0661
Schistosoma mansoni tyrosine kinase 0.0129 0.0283 0.0706
Echinococcus granulosus insulin receptor 0.0129 0.0283 0.1325
Schistosoma mansoni polycystin 1-related 0.0163 0.0421 0.1051
Mycobacterium ulcerans hypothetical protein 0.0116 0.0232 0.0196
Plasmodium vivax multidomain scavenger receptor, putative 0.0163 0.0421 1
Echinococcus granulosus jun protein 0.0094 0.0141 0.0661
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0037 0.0093
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0124 0.0261 0.6213
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0129 0.0283 0.1325
Schistosoma mansoni hypothetical protein 0.0163 0.0421 0.1051
Echinococcus granulosus RUN 0.0163 0.0421 0.1972
Schistosoma mansoni rab6-interacting 0.0163 0.0421 0.1051
Echinococcus granulosus tar DNA binding protein 0.0068 0.0037 0.0174
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0124 0.0261 0.6213
Echinococcus multilocularis Polycystic kidney disease protein 0.0163 0.0421 0.1972
Trichomonas vaginalis conserved hypothetical protein 0.2541 1 0.5
Echinococcus granulosus carbonic anhydrase II 0.0124 0.0261 0.1225
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0037 0.0882
Schistosoma mansoni jun-related protein 0.0077 0.0073 0.0183
Chlamydia trachomatis sulfate transporter 0.0068 0.0037 0.5
Schistosoma mansoni loxhd1 0.0163 0.0421 0.1051
Echinococcus multilocularis insulin receptor 0.0129 0.0283 0.1325
Loa Loa (eye worm) hypothetical protein 0.0163 0.0421 1
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0037 0.0882
Schistosoma mansoni lipoxygenase 0.0589 0.2135 0.533
Onchocerca volvulus 0.0163 0.0421 0.2605
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0124 0.0261 0.0653
Trypanosoma brucei carbonic anhydrase-like protein 0.0124 0.0261 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.0421 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0163 0.0421 0.1972
Entamoeba histolytica carbonic anhydrase, putative 0.1053 0.4005 0.5
Loa Loa (eye worm) hypothetical protein 0.0087 0.0116 0.2761
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0124 0.0261 0.0653
Loa Loa (eye worm) carbonic anhydrase 3 0.0124 0.0261 0.6213
Brugia malayi hypothetical protein 0.0163 0.0421 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0037 0.0093
Schistosoma mansoni hypothetical protein 0.0077 0.0073 0.0183
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0124 0.0261 0.6213
Leishmania major carbonic anhydrase family protein, putative 0.1053 0.4005 1
Trichomonas vaginalis conserved hypothetical protein 0.2541 1 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0122 0.0255 0.1195
Schistosoma mansoni carbonic anhydrase 0.1053 0.4005 1
Schistosoma mansoni lipoxygenase 0.0295 0.0952 0.2377
Onchocerca volvulus 0.0163 0.0421 0.2605
Echinococcus multilocularis carbonic anhydrase II 0.0124 0.0261 0.1225
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.1005 0.3813 0.3344
Onchocerca volvulus 0.0426 0.1479 1
Schistosoma mansoni rab6-interacting 0.0163 0.0421 0.1051
Echinococcus multilocularis serotonin receptor 0.0122 0.0255 0.1195
Plasmodium falciparum LCCL domain-containing protein 0.0163 0.0421 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0129 0.0283 0.6722
Mycobacterium ulcerans carbonic anhydrase 0.1053 0.4005 0.3983
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0037 0.0093
Brugia malayi TAR-binding protein 0.0068 0.0037 0.0882
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.2028 0.7931 1
Echinococcus granulosus Polycystic kidney disease protein 0.0163 0.0421 0.1972
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0037 0.0174
Echinococcus multilocularis lipoxygenase domain containing protein 0.0163 0.0421 0.1972
Schistosoma mansoni tyrosine kinase 0.0129 0.0283 0.0706
Loa Loa (eye worm) hypothetical protein 0.007 0.0047 0.1113
Schistosoma mansoni biogenic amine (5HT) receptor 0.0122 0.0255 0.0637
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0094 0.0141 0.0661
Echinococcus multilocularis RUN 0.0163 0.0421 0.1972
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0068 0.0037 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) 0 nM Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells; IA means Inactive ChEMBL. 15080983

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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