Detailed information for compound 300017

Basic information

Technical information
  • TDR Targets ID: 300017
  • Name: 2-[2-(4-bromophenyl)-1H-indol-3-yl]-N-propan- 2-yl-N-(pyridin-4-ylmethyl)acetamide
  • MW: 462.382 | Formula: C25H24BrN3O
  • H donors: 1 H acceptors: 2 LogP: 5.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)c1[nH]c2c(c1CC(=O)N(C(C)C)Cc1ccncc1)cccc2
  • InChi: 1S/C25H24BrN3O/c1-17(2)29(16-18-11-13-27-14-12-18)24(30)15-22-21-5-3-4-6-23(21)28-25(22)19-7-9-20(26)10-8-19/h3-14,17,28H,15-16H2,1-2H3
  • InChiKey: GXLMDPVNLRUVCU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(4-bromophenyl)-1H-indol-3-yl]-N-isopropyl-N-(4-pyridylmethyl)acetamide
  • 2-[2-(4-bromophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens farnesyltransferase, CAAX box, alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, alpha [EC:2.5.1.58 2.5.1.59], putative Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma mansoni protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium falciparum protein farnesyltransferase subunit alpha Get druggable targets OG5_128459 All targets in OG5_128459
Neospora caninum hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
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
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.1248 1 0.5
Echinococcus granulosus sterol regulatory element binding protein 0.0514 0.3041 0.3041
Echinococcus multilocularis Niemann Pick C1 protein 0.0514 0.3041 0.3041
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0585 0.3721 1
Loa Loa (eye worm) hypothetical protein 0.0514 0.3041 0.3041
Trichomonas vaginalis conserved hypothetical protein 0.0514 0.3041 0.8174
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.1248 1 1
Loa Loa (eye worm) hypothetical protein 0.1248 1 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.1248 1 0.5
Echinococcus multilocularis protein dispatched 1 0.0514 0.3041 0.3041
Echinococcus multilocularis protein patched 0.0514 0.3041 0.3041
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0585 0.3721 1
Schistosoma mansoni patched 1 0.0514 0.3041 0.3041
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.1248 1 1
Brugia malayi CHE-14 protein 0.0514 0.3041 0.3041
Echinococcus granulosus Protein patched homolog 1 0.0514 0.3041 0.3041
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0585 0.3721 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0514 0.3041 0.3041
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0 0.5
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.1248 1 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0514 0.3041 0.3041
Echinococcus multilocularis sterol regulatory element binding protein 0.0514 0.3041 0.3041
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.1248 1 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0514 0.3041 0.3041
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0 0.5
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.1248 1 1
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.1248 1 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0585 0.3721 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 14369 nM Concentration required for the inhibitory activity against human Farnesyltransferase ChEMBL. 11294379
IC50 (binding) = 14369 nM Concentration required for the inhibitory activity against human Farnesyltransferase ChEMBL. 11294379

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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