TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 536.71 | Formula: C24H36N6O4S2
H donors: 4 H acceptors: 6 LogP: 1.16 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: CSCC[C@@H](C(=O)O)NC(=O)CN(Cc1ccccc1)C[C@H](C(CC)C)NC(=O)CSc1n[nH]cn1
InChi: 1S/C24H36N6O4S2/c1-4-17(2)20(28-22(32)15-36-24-25-16-26-29-24)13-30(12-18-8-6-5-7-9-18)14-21(31)27-19(23(33)34)10-11-35-3/h5-9,16-17,19-20H,4,10-15H2,1-3H3,(H,27,31)(H,28,32)(H,33,34)(H,25,26,29)/t17?,19-,20+/m0/s1
InChiKey: ZIIKUNCIUGCGHG-ZYJPSCNZSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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
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
Giardia lamblia	Rab geranylgeranyltransferase	Get druggable targets OG5_128459	All targets in OG5_128459
Neospora caninum	hypothetical protein	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
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
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing 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
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
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
Babesia bovis	protein prenyltransferase alpha subunit repeat domain containing protein	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
Plasmodium berghei	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
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
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

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0193	0.3948	0.3865
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0193	0.3948	1
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0193	0.3948	0.3948
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0193	0.3948	0.3948
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.005	0.0134	0.5
Onchocerca volvulus		0.0093	0.1273	0.1154
Giardia lamblia	Rab geranylgeranyltransferase	0.0193	0.3948	1
Onchocerca volvulus		0.042	1	1
Schistosoma mansoni	hypothetical protein	0.042	1	1
Loa Loa (eye worm)	WD40 repeat protein	0.042	1	1
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.005	0.0134	0.5
Trichomonas vaginalis	WD repeat domain, putative	0.042	1	1
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.005	0.0134	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0134	0.5
Echinococcus granulosus	protein will die slowly	0.042	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.005	0.0134	0.5
Brugia malayi	Glycosyl hydrolases family 31 protein	0.016	0.3075	0.3075
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.005	0.0134	0.0134
Echinococcus multilocularis	lysosomal alpha glucosidase	0.016	0.3075	0.3075
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0134	0.5
Schistosoma mansoni	alpha-glucosidase	0.0138	0.248	0.248
Echinococcus granulosus	lysosomal alpha glucosidase	0.016	0.3075	0.3075
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.005	0.0134	0.0134
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.005	0.0134	0.5
Echinococcus multilocularis	protein will die slowly	0.042	1	1
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0193	0.3948	0.3948
Echinococcus multilocularis	lysosomal alpha glucosidase	0.016	0.3075	0.3075
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.005	0.0134	0.0134
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0193	0.3948	0.3865
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.005	0.0134	0.5
Schistosoma mansoni	alpha-glucosidase	0.0138	0.248	0.248
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0193	0.3948	0.3865
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.005	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0193	0.3948	0.3948
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.016	0.3075	0.3075
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.005	0.0134	0.0134
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.005	0.0134	0.5
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.005	0.0134	0.0134
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0193	0.3948	1
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.005	0.0134	0.0134
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0193	0.3948	0.3948
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.005	0.0134	0.5
Toxoplasma gondii	hypothetical protein	0.0143	0.2613	1
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0193	0.3948	1
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0193	0.3948	0.3948
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0143	0.2613	0.2512

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10000 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)	> 10000 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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Detailed information for compound 187108