Detailed information for compound 318879

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.463 | Formula: C20H29N3O2
  • H donors: 2 H acceptors: 3 LogP: 3.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(C1CCCCC1)CN1CCC(CC1)n1c(O)nc2c1cccc2
  • InChi: 1S/C20H29N3O2/c24-19(15-6-2-1-3-7-15)14-22-12-10-16(11-13-22)23-18-9-5-4-8-17(18)21-20(23)25/h4-5,8-9,15-16,19,24H,1-3,6-7,10-14H2,(H,21,25)
  • InChiKey: LAUXQQGPTMHJHY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opiate receptor-like 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis growth hormone secretagogue receptor type 1 opiate receptor-like 1 370 aa 349 aa 22.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0109 0.1007 0.5
Leishmania major squalene synthase, putative 0.0234 0.4478 0.4478
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0109 0.1007 0.1007
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0109 0.1007 0.1007
Treponema pallidum octaprenyl-diphosphate synthase 0.0109 0.1007 0.5
Leishmania major polyprenyl synthase, putative 0.0109 0.1007 0.1007
Trypanosoma cruzi polyprenyl synthase, putative 0.0109 0.1007 0.1007
Giardia lamblia Farnesyl diphosphate synthase 0.0432 1 0.5
Schistosoma mansoni glutathione synthetase 0.0109 0.1007 0.1007
Loa Loa (eye worm) polyprenyl synthetase 0.0109 0.1007 0.1007
Leishmania major farnesyl pyrophosphate synthase 0.0432 1 1
Trypanosoma cruzi squalene synthase, putative 0.0234 0.4478 0.4478
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0432 1 1
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0109 0.1007 0.1007
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0432 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0432 1 1
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0432 1 0.5
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0432 1 1
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0109 0.1007 0.1007
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0432 1 1
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0432 1 1
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0109 0.1007 0.5
Trypanosoma brucei squalene synthase, putative 0.0234 0.4478 0.386
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0109 0.1007 0.1007
Trypanosoma cruzi polyprenyl synthase, putative 0.0109 0.1007 0.1007
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0109 0.1007 0.1007
Loa Loa (eye worm) polyprenyl synthetase 0.0432 1 1
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0432 1 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0109 0.1007 0.1007
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0432 1 0.5
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0432 1 1
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0109 0.1007 0.5
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0109 0.1007 0.1007
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0073 0 0.5
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0109 0.1007 0.5
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0109 0.1007 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0432 1 0.5
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0109 0.1007 0.1007
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0432 1 1
Leishmania major solanesyl-diphosphate synthase, putative 0.0109 0.1007 0.1007
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0109 0.1007 0.1007
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0109 0.1007 0.5
Trypanosoma cruzi squalene synthase, putative 0.0234 0.4478 0.4478
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0109 0.1007 0.1007
Schistosoma mansoni trans-prenyltransferase 0.0109 0.1007 0.1007
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0109 0.1007 0.1007
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0432 1 1
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0109 0.1007 0.1007
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0432 1 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0432 1 1
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0109 0.1007 0.1007
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0109 0.1007 0.5
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0109 0.1007 0.1007
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0109 0.1007 0.1007

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 620 nM Binding affinity towards human opioid receptor like 1 was determined by using [3H]-nociceptin as radioligand expressed in Chinese hamster ovary (CHO) cells ChEMBL. 15664818
Ki (binding) = 620 nM Binding affinity towards human opioid receptor like 1 was determined by using [3H]-nociceptin as radioligand expressed in Chinese hamster ovary (CHO) cells ChEMBL. 15664818

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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