Detailed information for compound 409332

Basic information

Technical information
  • TDR Targets ID: 409332
  • Name: 2-[4-(3-fluorophenyl)piperidin-1-yl]-N-(3-met hylphenyl)acetamide
  • MW: 326.408 | Formula: C20H23FN2O
  • H donors: 1 H acceptors: 1 LogP: 3.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C)CN1CCC(CC1)c1cccc(c1)F
  • InChi: 1S/C20H23FN2O/c1-15-4-2-7-19(12-15)22-20(24)14-23-10-8-16(9-11-23)17-5-3-6-18(21)13-17/h2-7,12-13,16H,8-11,14H2,1H3,(H,22,24)
  • InChiKey: JTICGVUFQRFTMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(3-fluorophenyl)-1-piperidyl]-N-(m-tolyl)acetamide
  • 2-[4-(3-fluorophenyl)-1-piperidinyl]-N-(m-tolyl)acetamide
  • 2-[4-(3-fluorophenyl)piperidin-1-yl]-N-(3-methylphenyl)ethanamide
  • 2-[4-(3-fluorophenyl)piperidino]-N-(m-tolyl)acetamide
  • 2-[4-(3-fluorophenyl)-1-piperidyl]-N-(3-methylphenyl)acetamide
  • 2-[4-(3-fluorophenyl)-1-piperidinyl]-N-(3-methylphenyl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D4 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
Trichomonas vaginalis tubulin epsilon chain, putative 0.0032 0.0109 1
Entamoeba histolytica tubulin family protein 0.0032 0.0109 0.5
Loa Loa (eye worm) tubulin gamma chain 0.0032 0.0109 0.0109
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1282 1 1
Loa Loa (eye worm) alpha-tubulin 0.0032 0.0109 0.0109
Trichomonas vaginalis tubulin epsilon chain, putative 0.0032 0.0109 1
Trypanosoma brucei alpha tubulin 0.0032 0.0109 0.0109
Plasmodium vivax tubulin beta chain, putative 0.0032 0.0109 0.5
Giardia lamblia Beta tubulin 0.0032 0.0109 0.5
Brugia malayi tubulin alpha chain - mouse 0.0032 0.0109 0.0109
Brugia malayi beta-tubulin, identical 0.0032 0.0109 0.0109
Leishmania major 0.1282 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0032 0.0109 0.0109
Giardia lamblia Gamma tubulin 0.0032 0.0109 0.5
Loa Loa (eye worm) alpha-tubulin 0.0032 0.0109 0.0109
Loa Loa (eye worm) tubulin alpha chain 0.0032 0.0109 0.0109
Plasmodium falciparum tubulin gamma chain 0.0032 0.0109 0.5
Trypanosoma brucei epsilon tubulin 0.0032 0.0109 0.0109
Trichomonas vaginalis tubulin alpha chain, putative 0.0032 0.0109 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0032 0.0109 1
Onchocerca volvulus 0.0018 0 0.5
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0032 0.0109 1
Brugia malayi Tubulin beta-1 chain 0.0032 0.0109 0.0109
Trichomonas vaginalis tubulin beta chain, putative 0.0032 0.0109 1
Trypanosoma brucei beta tubulin 0.0032 0.0109 0.0109
Plasmodium vivax tubulin alpha chain, putative 0.0032 0.0109 0.5
Trypanosoma brucei epsilon tubulin 0.0032 0.0109 0.0109
Brugia malayi Tubulin alpha-2 chain 0.0032 0.0109 0.0109
Trichomonas vaginalis tubulin beta chain, putative 0.0032 0.0109 1
Plasmodium vivax tubulin epsilon chain, putative 0.0032 0.0109 0.5
Trichomonas vaginalis tubulin gamma chain, putative 0.0032 0.0109 1
Trypanosoma brucei alpha tubulin 0.0032 0.0109 0.0109
Giardia lamblia Beta tubulin 0.0032 0.0109 0.5
Toxoplasma gondii fructose-bisphospatase I 0.0477 0.363 0.3559
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0477 0.363 0.3559
Loa Loa (eye worm) BEN-1 protein 0.0032 0.0109 0.0109
Giardia lamblia Beta tubulin 0.0032 0.0109 0.5
Plasmodium vivax tubulin gamma chain, putative 0.0032 0.0109 0.5
Trypanosoma brucei beta tubulin 0.0032 0.0109 0.0109
Loa Loa (eye worm) BEN-1 protein 0.0032 0.0109 0.0109
Toxoplasma gondii fructose-bisphospatase II 0.1282 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0032 0.0109 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0032 0.0109 1
Loa Loa (eye worm) beta-tubulin 0.0032 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0032 0.0109 0.0109
Loa Loa (eye worm) tubulin beta-2A chain 0.0032 0.0109 0.0109
Giardia lamblia Alpha-tubulin 0.0032 0.0109 0.5
Loa Loa (eye worm) tubulin alpha-2 chain 0.0032 0.0109 0.0109
Plasmodium falciparum alpha tubulin 1 0.0032 0.0109 0.5
Entamoeba histolytica tubulin family protein 0.0032 0.0109 0.5
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0477 0.363 0.363
Brugia malayi Tubulin alpha chain 0.0032 0.0109 0.0109
Brugia malayi Tubulin alpha-2 chain 0.0032 0.0109 0.0109
Entamoeba histolytica tubulin alpha chain, putative 0.0032 0.0109 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0032 0.0109 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0032 0.0109 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0477 0.363 0.3559
Entamoeba histolytica tubulin alpha-1 chain 0.0032 0.0109 0.5
Trypanosoma brucei beta tubulin 0.0032 0.0109 0.0109
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.1282 1 1
Trypanosoma brucei tubulin gamma chain 0.0032 0.0109 0.0109
Echinococcus granulosus fructose 16 bisphosphatase 1 0.1282 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0032 0.0109 1
Loa Loa (eye worm) tubulin beta chain 0.0032 0.0109 0.0109
Trichomonas vaginalis tubulin epsilon chain, putative 0.0032 0.0109 1
Trypanosoma brucei beta tubulin 0.0032 0.0109 0.0109
Loa Loa (eye worm) tubulin alpha chain 0.0032 0.0109 0.0109
Trichomonas vaginalis tubulin, putative 0.0032 0.0109 1
Trypanosoma brucei epsilon tubulin 0.0032 0.0109 0.0109
Plasmodium falciparum tubulin beta chain 0.0032 0.0109 0.5
Plasmodium falciparum alpha tubulin 2 0.0032 0.0109 0.5
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1282 1 1
Trypanosoma brucei beta tubulin 0.0032 0.0109 0.0109
Brugia malayi Tubulin gamma chain 0.0032 0.0109 0.0109
Giardia lamblia Alpha-tubulin 0.0032 0.0109 0.5
Loa Loa (eye worm) tubulin beta-1 chain 0.0032 0.0109 0.0109
Trypanosoma brucei alpha tubulin 0.0032 0.0109 0.0109
Trichomonas vaginalis tubulin beta chain, putative 0.0032 0.0109 1
Entamoeba histolytica tubulin gamma chain 0.0032 0.0109 0.5
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.1282 1 1
Schistosoma mansoni fructose-16-bisphosphatase-related 0.1282 1 1
Trypanosoma brucei alpha tubulin 0.0032 0.0109 0.0109
Plasmodium vivax tubulin alpha chain, putative 0.0032 0.0109 0.5
Trypanosoma brucei fructose-1,6-bisphosphatase 0.1282 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0032 0.0109 1
Brugia malayi tubulin alpha-2 chain 0.0032 0.0109 0.0109
Trichomonas vaginalis tubulin beta chain, putative 0.0032 0.0109 1
Brugia malayi alpha-tubulin 0.0032 0.0109 0.0109
Plasmodium falciparum tubulin epsilon chain, putative 0.0032 0.0109 0.5
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0477 0.363 0.3559

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 512 nM Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR ChEMBL. 17149874
EC50 (functional) = 512 nM Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR ChEMBL. 17149874
Efficacy (functional) = 40 % Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR with relative to dopamine ChEMBL. 17149874
Efficacy (functional) = 40 % Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR with relative to dopamine ChEMBL. 17149874

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.