Detailed information for compound 345336

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.413 | Formula: C17H27F2N3
  • H donors: 0 H acceptors: 0 LogP: 2.58 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CC(c1c(F)cccc1F)N1CCN(CC1)C)CC
  • InChi: 1S/C17H27F2N3/c1-4-21(5-2)13-16(22-11-9-20(3)10-12-22)17-14(18)7-6-8-15(17)19/h6-8,16H,4-5,9-13H2,1-3H3
  • InChiKey: KCFOJPQQBREGFX-UHFFFAOYSA-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 melanocortin 4 receptor 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
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.1053 0.8483 0.8404
Loa Loa (eye worm) hypothetical protein 0.0168 0.0491 0.0491
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.1221 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.1221 1 1
Loa Loa (eye worm) hypothetical protein 0.0463 0.3156 0.3156
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1221 1 1
Onchocerca volvulus 0.0168 0.0491 0.5
Schistosoma mansoni immunophilin 0.1053 0.8483 0.8404
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.1221 1 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.1221 1 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1221 1 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0168 0.0491 0.5
Leishmania major fk506-binding protein 1-like protein 0.1221 1 1
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0168 0.0491 0.5
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0168 0.0491 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1221 1 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0168 0.0491 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0168 0.0491 0.0491
Trichomonas vaginalis immunophilin, putative 0.1221 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0463 0.3156 0.3156
Loa Loa (eye worm) FKBP5 protein 0.1221 1 1
Echinococcus multilocularis fk506 binding protein 0.1221 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0386 0.2455 0.2065
Onchocerca volvulus 0.0168 0.0491 0.5
Schistosoma mansoni immunophilin 0.1221 1 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0168 0.0491 0.5
Schistosoma mansoni immunophilin 0.1221 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.1221 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0386 0.2455 0.2065
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.1221 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1221 1 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0168 0.0491 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0168 0.0491 0.0491
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.1221 1 1
Leishmania major peptidylprolyl isomerase-like protein 0.1221 1 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.1221 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1221 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0168 0.0491 0.0491
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.1221 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1221 1 1
Trichomonas vaginalis fk506-binding protein, putative 0.1221 1 1
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0168 0.0491 0.5
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.1221 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.1221 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0168 0.0491 0.0491
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.1221 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0168 0.0491 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0168 0.0491 0.0491
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1053 0.8483 0.8404
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.1221 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0168 0.0491 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1221 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1221 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0168 0.0491 0.0491
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.1221 1 1
Loa Loa (eye worm) hypothetical protein 0.1053 0.8483 0.8483

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 150 nM Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor ChEMBL. 16169215
Ki (binding) = 150 nM Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor ChEMBL. 16169215

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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