Detailed information for compound 301964

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 575.968 | Formula: C28H36BrClN4O2
  • H donors: 1 H acceptors: 2 LogP: 3.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: COCC[C@H]1CN(CCN1C(=O)CC1CCNCC1)C1c2ccc(cc2CCc2c1ncc(c2)Br)Cl
  • InChi: 1S/C28H36BrClN4O2/c1-36-13-8-24-18-33(11-12-34(24)26(35)14-19-6-9-31-10-7-19)28-25-5-4-23(30)16-20(25)2-3-21-15-22(29)17-32-27(21)28/h4-5,15-17,19,24,28,31H,2-3,6-14,18H2,1H3/t24-,28?/m0/s1
  • InChiKey: URWJIGVDAQEIEV-ZZDYIDRTSA-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
Giardia lamblia Rab geranylgeranyltransferase 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 berghei protein farnesyltransferase subunit alpha, 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
Trichomonas vaginalis protein farnesyltransferase 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
Loa Loa (eye worm) 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
Brugia malayi Protein prenyltransferase alpha subunit repeat 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
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
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
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
Plasmodium falciparum protein farnesyltransferase subunit alpha 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
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii 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
Plasmodium vivax prenyltransferase 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

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
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0256 0.1901 0.116
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0256 0.1901 0.116
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0256 0.1901 0.5
Leishmania major trypanothione reductase 0.074 1 1
Toxoplasma gondii thioredoxin reductase 0.074 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0256 0.1901 0.116
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.0838 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.074 1 1
Plasmodium falciparum glutathione reductase 0.0256 0.1901 0.116
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0256 0.1901 0.1901
Plasmodium falciparum thioredoxin reductase 0.074 1 1
Trypanosoma brucei trypanothione reductase 0.074 1 1
Loa Loa (eye worm) thioredoxin reductase 0.074 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0256 0.1901 0.1234
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.0838 0.4409
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0256 0.1901 0.5
Brugia malayi Thioredoxin reductase 0.074 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0256 0.1901 0.116
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.0838 0.0084
Echinococcus granulosus thioredoxin glutathione reductase 0.074 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0256 0.1901 1
Treponema pallidum NADH oxidase 0.0256 0.1901 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0256 0.1901 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0256 0.1901 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0256 0.1901 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0256 0.1901 0.5
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0256 0.1901 0.116
Plasmodium falciparum thioredoxin reductase 0.0256 0.1901 0.116
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.0838 0.4409
Plasmodium falciparum glutathione reductase 0.074 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0256 0.1901 0.116
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0256 0.1901 0.5
Plasmodium vivax glutathione reductase, putative 0.074 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0256 0.1901 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0256 0.1901 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0256 0.1901 0.116
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.074 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.074 1 1
Plasmodium vivax thioredoxin reductase, putative 0.074 1 1
Loa Loa (eye worm) glutathione reductase 0.074 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.0838 0.4409
Toxoplasma gondii NADPH-glutathione reductase 0.0256 0.1901 0.1901

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.069 uM In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene ChEMBL. 9526562
IC50 (binding) = 0.069 uM In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene ChEMBL. 9526562

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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