Detailed information for compound 288562

Basic information

Technical information
  • TDR Targets ID: 288562
  • Name: N-(2-cyanoethyl)-N-cyclopropyl-2-(2-phenyl-1H -indol-3-yl)acetamide
  • MW: 343.422 | Formula: C22H21N3O
  • H donors: 1 H acceptors: 2 LogP: 3.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCN(C(=O)Cc1c([nH]c2c1cccc2)c1ccccc1)C1CC1
  • InChi: 1S/C22H21N3O/c23-13-6-14-25(17-11-12-17)21(26)15-19-18-9-4-5-10-20(18)24-22(19)16-7-2-1-3-8-16/h1-5,7-10,17,24H,6,11-12,14-15H2
  • InChiKey: CFONHNVNUVBJDE-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-cyanoethyl)-N-cyclopropyl-2-(2-phenyl-1H-indol-3-yl)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
Schistosoma mansoni protein farnesyltransferase alpha subunit 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
Brugia malayi Protein prenyltransferase alpha subunit repeat containing 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
Loa Loa (eye worm) hypothetical protein 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
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 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
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
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis farnesyltransferase 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
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium berghei protein farnesyltransferase subunit alpha, putative 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
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 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
Neospora caninum hypothetical protein 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
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
Giardia lamblia Rab geranylgeranyltransferase 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
Theileria parva hypothetical 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

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 brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0 0.5
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.2401 1
Echinococcus multilocularis sodium bile acid cotransporter 0.0645 1 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.0198 0.0198
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.005 0 0.5
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.2401 0.2401
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.005 0 0.5
Echinococcus multilocularis sodium bile acid cotransporter 0.0645 1 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0198 0.0198
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0198 0.0198
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.2401 0.2401
Brugia malayi TAR-binding protein 0.0062 0.0198 0.0198
Loa Loa (eye worm) RNA binding protein 0.0062 0.0198 0.0198
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.005 0 0.5
Schistosoma mansoni sodium-bile acid cotransporter related 0.0645 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.2401 1
Loa Loa (eye worm) hypothetical protein 0.0645 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0198 0.0198
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.2401 0.2401
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0198 0.0198
Schistosoma mansoni sodium-bile acid cotransporter 0.0383 0.5604 0.5604
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0198 0.0198
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.2401 1
Brugia malayi RNA binding protein 0.0062 0.0198 0.0198
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.2401 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.2401 1
Echinococcus granulosus sodium bile acid cotransporter 0.0645 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.2401 1
Schistosoma mansoni sodium-bile acid cotransporter related 0.0262 0.3555 0.3555
Leishmania major protein farnesyltransferase alpha subunit, putative 0.005 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0198 0.0198
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.156 0.65
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0198 0.0198
Toxoplasma gondii hypothetical protein 0.0143 0.156 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.2401 0.2401
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0 0.5
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.2401 0.2401
Echinococcus granulosus sodium bile acid cotransporter 0.0645 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0198 0.0198
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0198 0.0198
Echinococcus multilocularis sodium bile acid cotransporter 0.0645 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.2401 1
Onchocerca volvulus 0.0645 1 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.2401 0.2401
Echinococcus granulosus sodium bile acid cotransporter 0.0645 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 123 nM Concentration required for the inhibitory activity against human Farnesyltransferase ChEMBL. 11294379
IC50 (binding) = 123 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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