Detailed information for compound 432161

Basic information

Technical information
  • TDR Targets ID: 432161
  • Name: norbinaltorphimine
  • MW: 661.786 | Formula: C40H43N3O6
  • H donors: 5 H acceptors: 4 LogP: 3.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: Oc1ccc2c3c1OC1C43CCN(C(C2)C2CC2)CC4(O)Cc2c1[nH]c1c2CC2(C34C1Oc1c4c(ccc1O)CC(N(C2)CC3)C1CC1)O
  • InChi: 1S/C40H43N3O6/c44-27-7-5-21-13-25(19-1-2-19)42-11-9-39-29(21)33(27)48-35(39)31-23(15-37(39,46)17-42)24-16-38(47)18-43-12-10-40(38)30-22(14-26(43)20-3-4-20)6-8-28(45)34(30)49-36(40)32(24)41-31/h5-8,19-20,25-26,35-36,41,44-47H,1-4,9-18H2
  • InChiKey: GYEXSFKLGQBRBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 105618-26-6
  • 4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8R-(4bR*,8alpha,8abeta,10aalpha,11beta,14aR*,19aalpha,20bbeta))-
  • Nor-binaltorphimine
  • Nor-bni

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 steroid hormone receptor ad4bp 0.0054 0.0942 0.1891
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0746 0.1497
Schistosoma mansoni coup transcription factor 0.0054 0.0942 0.1891
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0054 0.0942 0.1891
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0054 0.0942 0.1903
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0054 0.0942 0.1903
Loa Loa (eye worm) hypothetical protein 0.0048 0.0746 0.1506
Loa Loa (eye worm) hypothetical protein 0.0054 0.0942 0.1903
Trypanosoma brucei protein kinase, putative 0.005 0.0794 0.5
Echinococcus multilocularis geminin 0.0166 0.4595 0.4595
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0054 0.0942 0.1891
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0054 0.0942 0.1903
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0054 0.0942 0.0942
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.4951 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0054 0.0942 0.0942
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0794 0.5
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0794 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0054 0.0942 0.1903
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0054 0.0942 0.1903
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0054 0.0942 0.0942
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0054 0.0942 0.1903
Schistosoma mansoni retinoic acid receptor RXR 0.0151 0.4105 0.8241
Schistosoma mansoni thyroid hormone receptor 0.0177 0.4981 1
Echinococcus multilocularis FTZ F1 alpha 0.0054 0.0942 0.0942
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0054 0.0942 0.1903
Loa Loa (eye worm) hypothetical protein 0.0176 0.4951 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0942 0.1903
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0794 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0794 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.0101 0.0203
Loa Loa (eye worm) hypothetical protein 0.0029 0.0101 0.0204
Brugia malayi nuclear receptor RXR 0.0029 0.0101 0.0204
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0794 0.0794
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0794 0.5
Brugia malayi hypothetical protein 0.0029 0.0101 0.0204
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.0942 0.0942
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0054 0.0942 0.1903
Loa Loa (eye worm) hypothetical protein 0.0054 0.0942 0.1903
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0122 0.3163 0.3163
Loa Loa (eye worm) hypothetical protein 0.0054 0.0942 0.1903
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0054 0.0942 0.1903
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0794 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.0942 0.0942
Brugia malayi nuclear hormone receptor 0.0054 0.0942 0.1903
Loa Loa (eye worm) hypothetical protein 0.0029 0.0101 0.0204
Onchocerca volvulus 0.0048 0.0746 0.1506
Echinococcus multilocularis thyroid hormone receptor alpha 0.0177 0.4981 0.4981
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.0942 0.0942
Echinococcus multilocularis tumor protein p63 0.033 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0101 0.0204
Brugia malayi N-terminal motif family protein 0.0176 0.4951 1
Onchocerca volvulus Bile acid receptor homolog 0.0054 0.0942 0.1903
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0794 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0101 0.0204
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0054 0.0942 0.1903
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0054 0.0942 0.1891
Schistosoma mansoni nuclear hormone receptor 0.0054 0.0942 0.1891
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0794 0.1603
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0054 0.0942 0.0942
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0054 0.0942 0.1891
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0054 0.0942 0.0942
Loa Loa (eye worm) hypothetical protein 0.0054 0.0942 0.1903
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0054 0.0942 0.1891
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.3198 0.3198
Brugia malayi nuclear receptor NHR-88 0.0054 0.0942 0.1903
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0054 0.0942 0.1903
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0054 0.0942 0.1903
Schistosoma mansoni RAR-like nuclear receptor 0.0054 0.0942 0.1891
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0054 0.0942 0.1891
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0029 0.0101 0.0101
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0794 0.1593
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0151 0.4105 0.4105
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0054 0.0942 0.0942
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0029 0.0101 0.0203
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0054 0.0942 0.1903
Onchocerca volvulus Protein ultraspiracle homolog 0.0054 0.0942 0.1903
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0794 0.5
Brugia malayi steroid hormone receptor 0.0054 0.0942 0.1903
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0054 0.0942 0.1903
Echinococcus multilocularis ecdysone induced protein 78C 0.0054 0.0942 0.0942
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0054 0.0942 0.0942
Loa Loa (eye worm) hypothetical protein 0.0029 0.0101 0.0204
Echinococcus granulosus FTZ F1 alpha 0.0054 0.0942 0.0942
Echinococcus granulosus ecdysone induced protein 78C 0.0054 0.0942 0.0942
Schistosoma mansoni thyroid hormone receptor 0.0177 0.4981 1
Brugia malayi hypothetical protein 0.0029 0.0101 0.0204
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.0942 0.0942
Echinococcus granulosus geminin 0.0166 0.4595 0.4595
Brugia malayi Nuclear hormone receptor-like 1 0.0054 0.0942 0.1903
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0054 0.0942 0.1903
Schistosoma mansoni hypothetical protein 0.0123 0.3198 0.642
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0054 0.0942 0.1903
Schistosoma mansoni hypothetical protein 0.0166 0.4595 0.9225
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0794 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0054 0.0942 0.1903
Loa Loa (eye worm) hypothetical protein 0.0054 0.0942 0.1903
Loa Loa (eye worm) steroid hormone receptor 0.0054 0.0942 0.1903
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0054 0.0942 0.1903
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0794 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0029 0.0101 0.0204
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0029 0.0101 0.0101
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0794 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0054 0.0942 0.1903
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0054 0.0942 0.0942
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0054 0.0942 0.1903
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0794 0.0794
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0101 0.0204
Loa Loa (eye worm) hypothetical protein 0.0054 0.0942 0.1903
Brugia malayi ecdysteroid receptor 0.0054 0.0942 0.1903
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0794 0.0794
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0794 0.0794
Loa Loa (eye worm) hypothetical protein 0.0054 0.0942 0.1903
Brugia malayi MAP kinase sur-1 0.005 0.0794 0.1603
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0054 0.0942 0.1903
Onchocerca volvulus 0.0054 0.0942 0.1903
Schistosoma mansoni hypothetical protein 0.0166 0.4595 0.9225
Brugia malayi photoreceptor-specific nuclear receptor 0.0054 0.0942 0.1903
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0794 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0794 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0054 0.0942 0.1903
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.3198 0.3198
Loa Loa (eye worm) hypothetical protein 0.0029 0.0101 0.0204

Activities

Activity type Activity value Assay description Source Reference
Ke (functional) = 0.11 nM Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS assay ChEMBL. 17625813

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

2 literature references were collected for this gene.

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