Detailed information for compound 1013844

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.602 | Formula: C30H33N3O2
  • H donors: 0 H acceptors: 2 LogP: 6.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](c1ccnc2c1cc(OC)cc2)Oc1cc(C)c2c(n1)cccc2
  • InChi: 1S/C30H33N3O2/c1-4-20-18-33-14-12-21(20)16-28(33)30(24-11-13-31-26-10-9-22(34-3)17-25(24)26)35-29-15-19(2)23-7-5-6-8-27(23)32-29/h5-11,13,15,17,20-21,28,30H,4,12,14,16,18H2,1-3H3/t20-,21-,28-,30-/m0/s1
  • InChiKey: XNLQXNDAUCSSKU-ZMLLPNAASA-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 ap endonuclease 0.0042 0.0304 0.0443
Schistosoma mansoni tar DNA-binding protein 0.0418 0.4557 0.7366
Schistosoma mansoni hypothetical protein 0.0561 0.6176 1
Schistosoma mansoni hypothetical protein 0.0104 0.101 0.1592
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0104 0.101 0.0981
Echinococcus granulosus chromobox protein 1 0.0083 0.0771 0.1203
Trypanosoma brucei glucosidase, putative 0.004 0.028 0.9221
Onchocerca volvulus Heterochromatin protein 1 homolog 0.005 0.0399 0.1913
Schistosoma mansoni hypothetical protein 0.0104 0.101 0.1592
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.028 0.9221
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.0304 1
Toxoplasma gondii exonuclease III APE 0.0042 0.0304 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0032 0.1043
Brugia malayi Latrophilin receptor protein 2 0.0104 0.101 0.2216
Onchocerca volvulus 0.0029 0.0167 0.08
Loa Loa (eye worm) hypothetical protein 0.0225 0.2375 0.5211
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.0304 0.0273
Brugia malayi TAR-binding protein 0.0418 0.4557 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.0304 1
Echinococcus multilocularis chromobox protein 1 0.0083 0.0771 0.0741
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.028 0.0966
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.0304 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.028 0.9221
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0032 0.007
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0012 0.0027
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.028 0.0966
Echinococcus granulosus intermediate filament protein 0.0029 0.0167 0.022
Echinococcus granulosus chromobox protein 1 0.0083 0.0771 0.1203
Schistosoma mansoni hypothetical protein 0.0104 0.101 0.1592
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.0304 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.028 0.913
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.1846 0.182
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.028 0.0615
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.0304 0.0667
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0167 0.0366
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0032 0.1043
Schistosoma mansoni alpha-glucosidase 0.0153 0.1566 0.2498
Echinococcus multilocularis GPCR, family 2 0.0104 0.101 0.0981
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.0304 0.0443
Schistosoma mansoni chromobox protein 0.0083 0.0771 0.1203
Schistosoma mansoni hypothetical protein 0.0561 0.6176 1
Loa Loa (eye worm) hypothetical protein 0.0329 0.3551 0.7792
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0418 0.4557 1
Onchocerca volvulus 0.0103 0.0998 0.4786
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0304 0.1048
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0042 0.0304 0.5
Schistosoma mansoni tar DNA-binding protein 0.0418 0.4557 0.7366
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0032 0.007
Leishmania major alpha glucosidase II subunit, putative 0.004 0.028 0.9221
Schistosoma mansoni tar DNA-binding protein 0.0418 0.4557 0.7366
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0032 0.1043
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0104 0.101 0.0981
Trichomonas vaginalis chromobox protein, putative 0.005 0.0399 0.1375
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0206 0.0709
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0104 0.101 0.1592
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0104 0.101 0.2216
Trichomonas vaginalis glutaminase, putative 0.0271 0.29 1
Brugia malayi glutaminase DH11.1 0.0271 0.29 0.6365
Schistosoma mansoni ap endonuclease 0.0042 0.0304 0.0443
Brugia malayi RNA binding protein 0.0418 0.4557 1
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0359 0.1238
Brugia malayi Glycosyl hydrolases family 31 protein 0.0178 0.1846 0.4052
Trichomonas vaginalis chromobox protein, putative 0.0083 0.0771 0.2657
Schistosoma mansoni tar DNA-binding protein 0.0418 0.4557 0.7366
Echinococcus granulosus lamin dm0 0.0029 0.0167 0.022
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.028 0.0966
Loa Loa (eye worm) glutaminase 2 0.0271 0.29 0.6365
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0304 1
Echinococcus multilocularis musashi 0.0029 0.0167 0.0136
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0178 0.1846 0.4052
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.028 0.0966
Loa Loa (eye worm) glutaminase 0.0271 0.29 0.6365
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.028 0.0249
Loa Loa (eye worm) hypothetical protein 0.0046 0.0359 0.0788
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.0304 0.5
Trichomonas vaginalis chromobox protein, putative 0.0083 0.0771 0.2657
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0359 0.1238
Echinococcus multilocularis chromobox protein 1 0.0083 0.0771 0.0741
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0167 0.0366
Brugia malayi isocitrate dehydrogenase 0.0018 0.0032 0.007
Loa Loa (eye worm) hypothetical protein 0.0029 0.0167 0.0366
Loa Loa (eye worm) hypothetical protein 0.0036 0.0245 0.0539
Schistosoma mansoni alpha glucosidase 0.004 0.028 0.0405
Brugia malayi Calcitonin receptor-like protein seb-1 0.0329 0.3551 0.7792
Loa Loa (eye worm) hypothetical protein 0.0199 0.2085 0.4575
Echinococcus multilocularis lamin 0.0029 0.0167 0.0136
Schistosoma mansoni alpha-glucosidase 0.0153 0.1566 0.2498
Echinococcus multilocularis lamin dm0 0.0029 0.0167 0.0136
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.028 0.0966
Echinococcus granulosus lysosomal alpha glucosidase 0.0178 0.1846 0.2954
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0329 0.3551 0.7792
Onchocerca volvulus 0.0036 0.0245 0.1177
Schistosoma mansoni lamin 0.0029 0.0167 0.022
Echinococcus granulosus geminin 0.0561 0.6176 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.028 0.0966
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0032 0.1043
Echinococcus granulosus lamin 0.0029 0.0167 0.022
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0206 0.0709
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.028 0.0966
Loa Loa (eye worm) latrophilin receptor protein 2 0.0104 0.101 0.2216
Loa Loa (eye worm) hypothetical protein 0.0104 0.101 0.2216
Echinococcus granulosus GPCR family 2 0.0104 0.101 0.1592
Brugia malayi chromobox protein homolog 3 0.0046 0.0359 0.0788
Loa Loa (eye worm) TAR-binding protein 0.0418 0.4557 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0042 0.0304 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0032 0.1043
Echinococcus multilocularis tar DNA binding protein 0.0418 0.4557 0.454
Brugia malayi latrophilin 2 splice variant baaae 0.0225 0.2375 0.5211
Loa Loa (eye worm) RNA binding protein 0.0418 0.4557 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.028 0.9221
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.0304 0.0667
Mycobacterium ulcerans glutaminase 0.0271 0.29 1
Schistosoma mansoni glutaminase 0.0271 0.29 0.4669
Brugia malayi N-terminal motif family protein 0.0199 0.2085 0.4575
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.028 0.0615
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0042 0.0304 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.028 0.0966
Loa Loa (eye worm) hypothetical protein 0.0029 0.0161 0.0353
Schistosoma mansoni lamin 0.0029 0.0167 0.022
Schistosoma mansoni intermediate filament proteins 0.0029 0.0167 0.022
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0012 0.0027
Schistosoma mansoni hypothetical protein 0.0225 0.2375 0.3814
Schistosoma mansoni chromobox protein 0.0083 0.0771 0.1203
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0304 0.1048
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0304 1
Brugia malayi Heterochromatin protein 1 0.0083 0.0771 0.1691
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0167 0.0366
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.0304 1
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.028 0.0405
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0329 0.3551 0.7792
Echinococcus granulosus tar DNA binding protein 0.0418 0.4557 0.7366
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.1846 0.182
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0104 0.101 0.1592
Brugia malayi RNA recognition motif domain containing protein 0.0418 0.4557 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0199 0.2085 1
Onchocerca volvulus 0.0029 0.0167 0.08
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0359 0.1721
Brugia malayi intermediate filament protein 0.0029 0.0167 0.0366
Echinococcus multilocularis geminin 0.0561 0.6176 0.6163
Trichomonas vaginalis chromobox protein, putative 0.005 0.0399 0.1375
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.028 0.0966
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.028 0.9221
Loa Loa (eye worm) heterochromatin protein 1 0.0083 0.0771 0.1691
Schistosoma mansoni tar DNA-binding protein 0.0418 0.4557 0.7366
Schistosoma mansoni hypothetical protein 0.0104 0.101 0.1592

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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