Detailed information for compound 282749

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 515.529 | Formula: C29H24F3N5O
  • H donors: 1 H acceptors: 3 LogP: 3.62 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1ccc(cc1)Cn1cncc1CNC1Cc2ccccc2CN(C1=O)Cc1cc(F)cc(c1F)F
  • InChi: 1S/C29H24F3N5O/c30-24-9-23(28(32)26(31)11-24)17-36-16-22-4-2-1-3-21(22)10-27(29(36)38)35-14-25-13-34-18-37(25)15-20-7-5-19(12-33)6-8-20/h1-9,11,13,18,27,35H,10,14-17H2
  • InChiKey: SSYAXKLPIZZQEY-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 farnesyltransferase, CAAX box, alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing 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
Toxoplasma gondii 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
Trichomonas vaginalis 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
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
Cryptosporidium hominis farnesyltransferase 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
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 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
Neospora caninum hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Rab geranylgeranyltransferase 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
Entamoeba histolytica 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
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium parvum farnesyltransferase 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
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
Brugia malayi Protein prenyltransferase alpha subunit repeat containing 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
Brugia malayi hypothetical protein 0.0138 0.6136 0.6136
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0164 0.7952 0.5
Trypanosoma brucei hypothetical protein, conserved 0.005 0 0.5
Echinococcus multilocularis peroxidasin 0.0138 0.6136 0.6136
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0164 0.7952 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0138 0.6136 0.6136
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 1 1
Brugia malayi Animal haem peroxidase family protein 0.0138 0.6136 0.6136
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0164 0.7952 0.5
Brugia malayi Blistered cuticle protein 3 0.0138 0.6136 0.6136
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 1 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Brugia malayi Animal haem peroxidase family protein 0.0138 0.6136 0.6136
Brugia malayi Animal haem peroxidase family protein 0.0138 0.6136 0.6136
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0 0.5
Onchocerca volvulus Peroxidase homolog 0.0138 0.6136 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0 0.5
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 1 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 1 1
Brugia malayi Peroxidasin 0.0138 0.6136 0.6136
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 1 1
Schistosoma mansoni peroxidasin 0.0138 0.6136 0.6136
Trichomonas vaginalis hypothetical protein 0.0164 0.7952 0.7952
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Giardia lamblia Rab geranylgeranyltransferase 0.0193 1 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0164 0.7952 0.5
Brugia malayi Animal haem peroxidase family protein 0.0138 0.6136 0.6136
Onchocerca volvulus Chorion peroxidase homolog 0.0138 0.6136 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Onchocerca volvulus Peroxidase homolog 0.0138 0.6136 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 1 1
Onchocerca volvulus Peroxidasin homolog 0.0138 0.6136 1
Loa Loa (eye worm) animal heme peroxidase 0.0138 0.6136 0.6136
Loa Loa (eye worm) hypothetical protein 0.0193 1 1
Onchocerca volvulus 0.0138 0.6136 1
Loa Loa (eye worm) animal heme peroxidase 0.0138 0.6136 0.6136
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Loa Loa (eye worm) animal heme peroxidase 0.0138 0.6136 0.6136
Schistosoma mansoni peroxidasin 0.0138 0.6136 0.6136
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0164 0.7952 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.005 0 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0138 0.6136 0.6136
Onchocerca volvulus 0.0138 0.6136 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 1 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Echinococcus granulosus peroxidasin 0.0138 0.6136 0.6136
Leishmania major protein farnesyltransferase alpha subunit, putative 0.005 0 0.5
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0164 0.7952 0.7952
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Toxoplasma gondii hypothetical protein 0.0143 0.65 0.8174
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 1 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0164 0.7952 0.7952
Onchocerca volvulus Peroxidasin homolog 0.0138 0.6136 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.005 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Brugia malayi Animal haem peroxidase family protein 0.0138 0.6136 0.6136
Onchocerca volvulus Dual oxidase homolog 0.0138 0.6136 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0164 0.7952 0.5
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.65 0.65
Loa Loa (eye worm) hypothetical protein 0.0138 0.6136 0.6136
Onchocerca volvulus 0.0138 0.6136 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 18 nM Inhibition of farnesyltransferase ChEMBL. 14741286
IC50 (binding) = 18 nM Inhibition of farnesyltransferase ChEMBL. 14741286
IC50 (functional) = 47 nM Inhibitory activity of the compound against v-H-Ras gene transfected cell line ChEMBL. 14741286

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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