Detailed information for compound 972752

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 320.445 | Formula: C19H29FN2O
  • H donors: 0 H acceptors: 0 LogP: 3.51 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: F[C@@H]1CCN(C1)Cc1ccc(cc1)OCCCN1CCCCC1
  • InChi: 1S/C19H29FN2O/c20-18-9-13-22(16-18)15-17-5-7-19(8-6-17)23-14-4-12-21-10-2-1-3-11-21/h5-8,18H,1-4,9-16H2/t18-/m1/s1
  • InChiKey: CNANVGDNJVODAU-GOSISDBHSA-N  

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 histamine receptor H3 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Entamoeba histolytica hypothetical protein 0.004 0.0126 0.0142
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Entamoeba histolytica Flap nuclease, putative 0.0029 0.0051 0.0058
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0106 0.0579 0.0579
Loa Loa (eye worm) RNA binding protein 0.007 0.0333 0.0376
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.1323 0.8855 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.02 0.0226
Schistosoma mansoni nuclear receptor nhr-48 0.005 0.0196 0.0196
Schistosoma mansoni nuclear hormone receptor 0.005 0.0196 0.0196
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0106 0.0579 0.0653
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0045 0.005
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.1323 0.8855 0.8855
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0106 0.0579 0.0653
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1323 0.8855 1
Brugia malayi TAR-binding protein 0.007 0.0333 0.0376
Schistosoma mansoni tar DNA-binding protein 0.007 0.0333 0.0333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0106 0.0579 0.0653
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0106 0.0579 0.0653
Schistosoma mansoni tar DNA-binding protein 0.007 0.0333 0.0333
Brugia malayi steroid hormone receptor 0.0106 0.0579 0.0653
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0106 0.0579 0.0653
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0106 0.0579 0.0579
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0106 0.0579 0.0602
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0051 0.0053
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0106 0.0579 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0106 0.0579 0.0653
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.0196 0.0196
Brugia malayi hypothetical protein 0.005 0.0196 0.0221
Echinococcus multilocularis thyroid hormone receptor alpha 0.0106 0.0579 0.0602
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0056 0.0237 0.0246
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0333 0.0376
Onchocerca volvulus Bile acid receptor homolog 0.0106 0.0579 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0106 0.0579 0.0653
Loa Loa (eye worm) nuclear receptor nhr-7B 0.005 0.0196 0.0221
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Onchocerca volvulus Protein ultraspiracle homolog 0.0106 0.0579 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0106 0.0579 0.0653
Onchocerca volvulus 0.0106 0.0579 1
Schistosoma mansoni nuclear hormone receptor 0.005 0.0196 0.0196
Brugia malayi nuclear hormone receptor family member odr-7 0.005 0.0196 0.0221
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0056 0.0237 0.0237
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0106 0.0579 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0237 0.0268
Mycobacterium ulcerans DNA polymerase IV 0.0021 0 0.5
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.005 0.0196 0.0196
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.02 0.0226
Brugia malayi hypothetical protein 0.0028 0.0045 0.005
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0056 0.0237 0.0268
Loa Loa (eye worm) TAR-binding protein 0.007 0.0333 0.0376
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0106 0.0579 0.0653
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0045 0.005
Echinococcus granulosus geminin 0.0358 0.229 0.229
Brugia malayi ecdysone receptor 0.005 0.0196 0.0221
Schistosoma mansoni hypothetical protein 0.0358 0.229 0.229
Schistosoma mansoni tar DNA-binding protein 0.007 0.0333 0.0333
Schistosoma mansoni zinc finger protein 0.005 0.0196 0.0196
Echinococcus multilocularis Nuclear hormone receptor HR96 0.005 0.0196 0.0204
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0106 0.0579 0.0579
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0106 0.0579 0.0602
Loa Loa (eye worm) nuclear hormone receptor 0.005 0.0196 0.0221
Entamoeba histolytica hypothetical protein 0.004 0.0126 0.0142
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0029 0.0051 0.1335
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0106 0.0579 0.0579
Echinococcus granulosus flap endonuclease 1 0.0029 0.0051 0.0051
Schistosoma mansoni tar DNA-binding protein 0.007 0.0333 0.0333
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.005 0.0196 0.0221
Brugia malayi Nuclear hormone receptor E75 0.005 0.0196 0.0221
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1435 0.9617 1
Brugia malayi nuclear hormone receptor 0.0106 0.0579 0.0653
Brugia malayi Flap endonuclease-1 0.0029 0.0051 0.0058
Schistosoma mansoni RAR-like nuclear receptor 0.0106 0.0579 0.0579
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.1323 0.8855 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0579 0.0653
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Brugia malayi nuclear receptor NHR-88 0.0106 0.0579 0.0653
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.1323 0.8855 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0106 0.0579 0.0653
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0106 0.0579 0.0653
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0106 0.0579 0.0653
Leishmania major hypothetical protein, conserved 0.0028 0.0045 0.005
Echinococcus multilocularis transcription factor Dp 1 0.0766 0.5064 0.5266
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0029 0.0051 0.0058
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.0196 0.0204
Schistosoma mansoni nuclear receptor 0.005 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0106 0.0579 0.0653
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.02 0.02
Echinococcus multilocularis FTZ F1 alpha 0.0106 0.0579 0.0602
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0056 0.0237 0.0237
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0045 0.005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0106 0.0579 0.0653
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.02 0.02
Plasmodium falciparum flap endonuclease 1 0.0029 0.0051 1
Schistosoma mansoni DNA polymerase eta 0.005 0.0192 0.0192
Mycobacterium ulcerans DNA polymerase IV 0.0021 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0106 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.0106 0.0579 0.0653
Schistosoma mansoni thyroid hormone receptor 0.0106 0.0579 0.0579
Brugia malayi nuclear receptor NHR-67 0.005 0.0196 0.0221
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0029 0.0051 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0106 0.0579 0.0653
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0106 0.0579 0.0602
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0106 0.0579 0.0653
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Echinococcus multilocularis nuclear receptor nhr 48 0.005 0.0196 0.0204
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.0092 0.0104
Brugia malayi Nuclear hormone receptor-like 1 0.0056 0.0237 0.0268
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.005 0.0196 0.0196
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.0192 0.0217
Loa Loa (eye worm) hypothetical protein 0.0056 0.0237 0.0268
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0106 0.0579 0.0653
Echinococcus granulosus Nuclear hormone receptor HR96 0.005 0.0196 0.0196
Brugia malayi hypothetical protein 0.0056 0.0237 0.0268
Schistosoma mansoni tar DNA-binding protein 0.007 0.0333 0.0333
Echinococcus granulosus dna polymerase eta 0.005 0.0192 0.0192
Brugia malayi hypothetical protein 0.004 0.0126 0.0142
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0106 0.0579 0.0653
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0106 0.0579 0.0653
Brugia malayi RNA binding protein 0.007 0.0333 0.0376
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0106 0.0579 0.0579
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0106 0.0579 0.0579
Schistosoma mansoni retinoic acid receptor RXR 0.1491 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.02 0.0208
Plasmodium vivax flap endonuclease 1, putative 0.0029 0.0051 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Loa Loa (eye worm) hypothetical protein 0.0056 0.0237 0.0268
Loa Loa (eye worm) hypothetical protein 0.0056 0.0237 0.0268
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0106 0.0579 0.0579
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0126 0.0131
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.02 0.0208
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.005 0.0196 0.0204
Loa Loa (eye worm) hypothetical protein 0.0028 0.0045 0.005
Leishmania major DNA polymerase eta, putative 0.0035 0.0092 0.0104
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0106 0.0579 0.0579
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.02 0.02
Brugia malayi hypothetical protein 0.0056 0.0237 0.0268
Loa Loa (eye worm) nuclear receptor NHR-67 0.005 0.0196 0.0221
Schistosoma mansoni nuclear receptor 0.005 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0106 0.0579 0.0653
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.005 0.0196 0.0196
Echinococcus granulosus FTZ F1 alpha 0.0106 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.0106 0.0579 0.0653
Brugia malayi orphan nuclear receptor NR2E1 0.005 0.0196 0.0221
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.0192 0.0217
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0126 0.0126
Schistosoma mansoni hypothetical protein 0.004 0.0126 0.0126
Brugia malayi conserved hypotetical protein 0.005 0.0196 0.0221
Echinococcus granulosus tar DNA binding protein 0.007 0.0333 0.0333
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0333 0.0376
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0056 0.0237 0.0237
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.1323 0.8855 0.8855
Brugia malayi Nuclear hormone receptor-like 1 0.0106 0.0579 0.0653
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0106 0.0579 0.0653
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Loa Loa (eye worm) hypothetical protein 0.0106 0.0579 0.0653
Schistosoma mansoni flap endonuclease-1 0.0026 0.0032 0.0032
Trichomonas vaginalis flap endonuclease-1, putative 0.0029 0.0051 1
Schistosoma mansoni coup transcription factor 0.0106 0.0579 0.0579
Brugia malayi tailless protein 0.005 0.0196 0.0221
Echinococcus granulosus transcription factor Dp 1 0.0766 0.5064 0.5064
Entamoeba histolytica hypothetical protein 0.004 0.0126 0.0142
Brugia malayi Nuclear hormone receptor-like 1 0.0056 0.0237 0.0268
Leishmania major DNA polymerase eta, putative 0.005 0.0192 0.0217
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0106 0.0579 0.0602
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.0092 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0106 0.0579 0.0579
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.1323 0.8855 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0106 0.0579 0.0579
Brugia malayi Nuclear hormone receptor E75 0.005 0.0196 0.0221
Loa Loa (eye worm) hypothetical protein 0.0106 0.0579 0.0653
Giardia lamblia Flap structure-specific endonuclease 0.0029 0.0051 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0106 0.0579 0.0653
Echinococcus granulosus thyroid hormone receptor alpha 0.005 0.0196 0.0196
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.0192 0.0217
Brugia malayi nuclear hormone receptor family member nhr-6 0.005 0.0196 0.0221
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0106 0.0579 0.0579
Loa Loa (eye worm) DR-78 0.005 0.0196 0.0221
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.1323 0.8855 0.9207
Brugia malayi hypothetical protein 0.005 0.0196 0.0221
Loa Loa (eye worm) hypothetical protein 0.0056 0.0237 0.0268
Echinococcus multilocularis tar DNA binding protein 0.007 0.0333 0.0346
Loa Loa (eye worm) steroid hormone receptor 0.0106 0.0579 0.0653
Brugia malayi nuclear receptor NHR-88 0.005 0.0196 0.0221
Echinococcus granulosus nuclear receptor nhr 48 0.005 0.0196 0.0196
Schistosoma mansoni hypothetical protein 0.0358 0.229 0.229
Brugia malayi nuclear receptor RXR 0.005 0.0196 0.0221
Echinococcus granulosus Nuclear hormone receptor HR96 0.005 0.0196 0.0196
Entamoeba histolytica hypothetical protein 0.004 0.0126 0.0142
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0106 0.0579 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0106 0.0579 0.0653
Loa Loa (eye worm) hypothetical protein 0.005 0.0192 0.0217
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Echinococcus multilocularis dna polymerase eta 0.005 0.0192 0.02
Brugia malayi ecdysteroid receptor 0.0106 0.0579 0.0653
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0221
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0106 0.0579 0.0602
Echinococcus multilocularis ecdysone induced protein 78C 0.0106 0.0579 0.0602
Loa Loa (eye worm) hypothetical protein 0.0106 0.0579 0.0653
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0106 0.0579 0.0602
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1323 0.8855 1
Echinococcus multilocularis geminin 0.0358 0.229 0.2381
Schistosoma mansoni nuclear hormone receptor 0.0106 0.0579 0.0579
Brugia malayi nuclear hormone receptor 0.005 0.0196 0.0221
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1323 0.8855 1
Brugia malayi Steroid receptor seven-up type 2 0.0106 0.0579 0.0653
Echinococcus granulosus ecdysone induced protein 78C 0.0106 0.0579 0.0579
Echinococcus multilocularis Nuclear hormone receptor HR96 0.005 0.0196 0.0204
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.0051 0.0058
Brugia malayi nuclear receptor RXR 0.0056 0.0237 0.0268
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0 0.5
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0051 0.0058

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.28 nM Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells ChEMBL. 19286376

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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