Detailed information for compound 35846

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.617 | Formula: C24H43N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]1CN(CC[C@@H]1N1C(=O)N(C2[C@H]1CCCC2)CC)CC1CCCCCCC1
  • InChi: 1S/C24H43N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h19-23,28H,2-18H2,1H3/t20-,21+,22?,23-/m1/s1
  • InChiKey: AQBZPEHNBLOOQP-HNTVYWHESA-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
Leishmania major hypothetical protein, conserved 0.0079 0.3778 1
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0286 0.0286
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0008 0.008 0.008
Trypanosoma brucei membrane transporter protein, putative 0.0079 0.3778 1
Schistosoma mansoni multidrug resistance protein 0.0079 0.3778 0.3778
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.008 0.008
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0286 0.0286
Echinococcus granulosus multidrug and toxin extrusion protein 2 0.0079 0.3778 0.3778
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.1875 0.1875
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.1875 1
Trypanosoma brucei membrane transporter protein, putative 0.0079 0.3778 1
Mycobacterium ulcerans DNA-damage-inducible protein F DinF 0.0007 0 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0286 0.0286
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.1728 1
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0286 0.0286
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.3778 1
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.008 0.008
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.008 0.008
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.008 0.008
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.008 0.008
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0286 0.1145
Echinococcus multilocularis Multi antimicrobial extrusion protein MatE 0.0072 0.3415 0.3415
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.2081 0.2081
Schistosoma mansoni hypothetical protein 0.0197 1 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0008 0.008 0.008
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0008 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0012 0.0286 0.1145
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0286 0.0286
Leishmania major hypothetical protein, conserved 0.0079 0.3778 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.008 0.008
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0008 0.008 0.008
Trypanosoma cruzi membrane transporter protein, putative 0.0079 0.3778 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0008 0.008 0.008
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.008 0.0463
Trypanosoma brucei MATE efflux family protein, putative 0.0079 0.3778 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0037 0.158 0.8354
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.3778 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.008 0.008
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.008 0.008
Treponema pallidum hypothetical protein 0.0007 0 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.1875 0.1875
Echinococcus multilocularis geminin 0.0197 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.3778 1
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0286 0.0286
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.3778 1
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.2081 0.2081
Giardia lamblia Na+ driven multidrug efflux pump 0.0007 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.008 0.0463
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.008 0.008
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.3778 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.008 0.008
Plasmodium falciparum multidrug efflux pump, putative 0.0007 0 0.5
Trypanosoma brucei membrane transporter protein, putative 0.0079 0.3778 1
Schistosoma mansoni hypothetical protein 0.0197 1 1
Giardia lamblia Na+ driven multidrug efflux pump 0.0007 0 0.5
Echinococcus multilocularis multidrug and toxin extrusion protein 2 0.0079 0.3778 0.3778
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.008 0.008
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.1875 1
Giardia lamblia Na+ driven multidrug efflux pump 0.0007 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.1728 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.3 nM Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK-293 cell membranes was determined using binding assay ChEMBL. 14980696

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

1 literature reference was collected for this gene.

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