Detailed information for compound 184895

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 592.792 | Formula: C33H44N4O4S
  • H donors: 4 H acceptors: 4 LogP: 2.87 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: CSCC[C@@H](C(=O)O)NC(=O)CN(Cc1cccc2c1cccc2)C[C@H](C(CC)C)NC(=O)CNCc1ccccc1
  • InChi: 1S/C33H44N4O4S/c1-4-24(2)30(36-31(38)20-34-19-25-11-6-5-7-12-25)22-37(23-32(39)35-29(33(40)41)17-18-42-3)21-27-15-10-14-26-13-8-9-16-28(26)27/h5-16,24,29-30,34H,4,17-23H2,1-3H3,(H,35,39)(H,36,38)(H,40,41)/t24?,29-,30+/m0/s1
  • InChiKey: WDSZBQLQSOHAIU-ZWBSKDEBSA-N  


Substructure search Similarity search

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
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis farnesyltransferase 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
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
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing 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
Brugia malayi Protein prenyltransferase alpha subunit repeat 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
Plasmodium berghei 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
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
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) hypothetical protein 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
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
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
Cryptosporidium parvum farnesyltransferase 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 Nuclear hormone receptor family member nhr-31 0.0364 1 1
Loa Loa (eye worm) hypothetical protein 0.0364 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.1098 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0364 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0364 1 1
Echinococcus granulosus FTZ F1 alpha 0.0364 1 1
Loa Loa (eye worm) hypothetical protein 0.0364 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0364 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0364 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0364 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0364 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0364 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0364 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.1098 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0192 0.1071 0.1071
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.1098 0.1098
Loa Loa (eye worm) hypothetical protein 0.0364 1 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.1098 0.1098
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0364 1 1
Brugia malayi nuclear hormone receptor 0.0364 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0364 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0364 1 1
Loa Loa (eye worm) hypothetical protein 0.0364 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0364 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0364 1 1
Brugia malayi hypothetical protein 0.0192 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0364 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0364 1 1
Loa Loa (eye worm) hypothetical protein 0.0364 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0364 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0364 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0364 1 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0192 0.1071 0.1071
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.1098 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0192 0.1071 0.1071
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0192 0.1071 0.1071
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0364 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0364 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.1098 0.5
Schistosoma mansoni thyroid hormone receptor 0.0364 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0364 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0364 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0192 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0364 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0364 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0364 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0364 1 1
Brugia malayi steroid hormone receptor 0.0364 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0364 1 1
Schistosoma mansoni thyroid hormone receptor 0.0364 1 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.1098 0.1098
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0364 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0364 1 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0364 1 1
Brugia malayi hypothetical protein 0.0192 0.1071 0.1071
Loa Loa (eye worm) steroid hormone receptor 0.0364 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0364 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0364 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0364 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0364 1 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.1098 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0192 0.1071 0.1071
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.1098 0.1098
Echinococcus multilocularis ecdysone induced protein 78C 0.0364 1 1
Onchocerca volvulus 0.0364 1 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.1098 0.1098
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.1098 0.5
Loa Loa (eye worm) hypothetical protein 0.0192 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0364 1 1
Schistosoma mansoni nuclear hormone receptor 0.0364 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.1098 0.5
Loa Loa (eye worm) hypothetical protein 0.0192 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0364 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0364 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0364 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0364 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0364 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0364 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0192 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0364 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0364 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0364 1 1
Brugia malayi nuclear receptor RXR 0.0192 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0364 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0364 1 1
Schistosoma mansoni coup transcription factor 0.0364 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0364 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0364 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0364 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0364 1 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.1098 0.1098
Brugia malayi Nuclear hormone receptor-like 1 0.0192 0.1071 0.1071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0364 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0364 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0364 1 1
Brugia malayi nuclear receptor NHR-88 0.0364 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 190 nM Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM. ChEMBL. 9873725
IC50 (binding) = 190 nM Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM. ChEMBL. 9873725

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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