TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 496.353 | Formula: C24H22BrN3O4
H donors: 0 H acceptors: 4 LogP: 3.63 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)[C@H]1N(Cc2cccnc2)C(=O)CC([C@@H]1[N+](=O)[O-])c1ccccc1Br
InChi: 1S/C24H22BrN3O4/c1-32-18-10-8-17(9-11-18)23-24(28(30)31)20(19-6-2-3-7-21(19)25)13-22(29)27(23)15-16-5-4-12-26-14-16/h2-12,14,20,23-24H,13,15H2,1H3/t20?,23-,24+/m1/s1
InChiKey: SGISYNKRKGFZQU-LZCZEWEUSA-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
Bos taurus	Protein farnesyltransferase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	Get druggable targets OG5_128081	All targets in OG5_128081
Plasmodium vivax	conserved Plasmodium protein, unknown function	Get druggable targets OG5_128081	All targets in OG5_128081
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Candida albicans	similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote	Get druggable targets OG5_128081	All targets in OG5_128081
Leishmania infantum	farnesyltransferase beta subunit	Get druggable targets OG5_128081	All targets in OG5_128081
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	Get druggable targets OG5_128081	All targets in OG5_128081
Plasmodium berghei	protein farnesyltransferase subunit beta, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Trypanosoma brucei gambiense	protein farnesyltransferase beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Echinococcus granulosus	protein farnesyltransferase subunit beta	Get druggable targets OG5_128081	All targets in OG5_128081
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Leishmania donovani	farnesyltransferase beta subunit	Get druggable targets OG5_128081	All targets in OG5_128081
Schistosoma mansoni	protein farnesyltransferase subunit beta	Get druggable targets OG5_128081	All targets in OG5_128081
Leishmania braziliensis	farnesyltransferase beta subunit	Get druggable targets OG5_128081	All targets in OG5_128081
Trypanosoma cruzi	protein farnesyltransferase, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Schistosoma japonicum	ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], putative	Get druggable targets OG5_128081	All targets in OG5_128081
Babesia bovis	prenyltransferase and squalene oxidase repeat family protein	Get druggable targets OG5_128081	All targets in OG5_128081
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	Get druggable targets OG5_128081	All targets in OG5_128081
Echinococcus multilocularis	protein farnesyltransferase subunit beta	Get druggable targets OG5_128081	All targets in OG5_128081
Leishmania major	farnesyltransferase beta subunit	Get druggable targets OG5_128081	All targets in OG5_128081
Plasmodium knowlesi	protein farnesyltransferase subunit beta, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Cryptosporidium hominis	chain B, structure of fpt bound to ggpp	Get druggable targets OG5_128081	All targets in OG5_128081
Plasmodium knowlesi	conserved Plasmodium protein, unknown function	Get druggable targets OG5_128081	All targets in OG5_128081
Leishmania mexicana	farnesyltransferase beta subunit	Get druggable targets OG5_128081	All targets in OG5_128081
Plasmodium yoelii	Prenyltransferase and squalene oxidase repeat, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Cryptosporidium parvum	protein geranyl-geranyltransferase beta subunit	Get druggable targets OG5_128081	All targets in OG5_128081
Trypanosoma cruzi	protein farnesyltransferase, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Candida albicans	similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote	Get druggable targets OG5_128081	All targets in OG5_128081
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Plasmodium falciparum	protein farnesyltransferase subunit beta	Get druggable targets OG5_128081	All targets in OG5_128081
Giardia lamblia	Prenyltransferase	Get druggable targets OG5_128081	All targets in OG5_128081
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Neospora caninum	protein farnesyltranstransferase beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Trypanosoma brucei	protein farnesyltransferase beta subunit	Get druggable targets OG5_128081	All targets in OG5_128081
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Plasmodium vivax	farnesyltransferase beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081
Theileria parva	farnesyltransferase beta subunit, putative	Get druggable targets OG5_128081	All targets in OG5_128081

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
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0067	0.0393	0.9096
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.0067	0.0393	0.2046
Brugia malayi	Flap endonuclease-1	0.0031	0.0142	0.0798
Giardia lamblia	Flap structure-specific endonuclease	0.0031	0.0142	0.2589
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0067	0.0393	0.8939
Toxoplasma gondii	hypothetical protein	0.0025	0.0101	0.1253
Onchocerca volvulus		0.0035	0.0173	0.0408
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0018	0.0054	0.0225
Plasmodium vivax	flap endonuclease 1, putative	0.0031	0.0142	0.2589
Plasmodium falciparum	flap endonuclease 1	0.0031	0.0142	0.2589
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0173	0.3883
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0025	0.0101	0.0476
Schistosoma mansoni	aldehyde dehydrogenase	0.0072	0.0427	1
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0025	0.0101	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0054	0.0331
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0031	0.0142	0.2355
Trypanosoma cruzi	lanosterol synthase, putative	0.0074	0.0439	1
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0031	0.0142	0.3128
Mycobacterium ulcerans	histidinol dehydrogenase	0.1456	1	1
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0018	0.0054	0.0258
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0054	0.0984
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.0067	0.0393	0.8939
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0025	0.0101	0.0476
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0173	0.0245
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0025	0.0101	0.0616
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0074	0.0439	0.0427
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0173	0.3195
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0025	0.0101	0.0545
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.0427	0.0415
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.0067	0.0393	0.9187
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0018	0.0054	0.1012
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0031	0.0142	0.3044
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0025	0.0101	0.2138
Trypanosoma brucei	lanosterol synthase	0.0074	0.0439	1
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.0018	0.0054	0.1101
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.0018	0.0054	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0101	0.0616
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0018	0.0054	0.1012
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0025	0.0101	0.2138
Entamoeba histolytica	Flap nuclease, putative	0.0031	0.0142	0.3405
Leishmania major	lanosterol synthase, putative	0.0056	0.0312	0.7234
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0025	0.0101	0.1377
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0029	0.0178
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0025	0.0101	0.208
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0025	0.0101	0.0135
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0067	0.0393	0.2046
Leishmania major	geranylgeranyltransferase, putative	0.0018	0.0054	0.1012
Giardia lamblia	Prenyltransferase	0.0067	0.0393	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0072	0.0427	1
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.0067	0.0393	0.9187
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0025	0.0101	0.208
Trypanosoma brucei	hypothetical protein, conserved	0.0025	0.0101	0.208
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0029	0.0103
Trichomonas vaginalis	set domain proteins, putative	0.0281	0.1875	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0072	0.0427	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0072	0.0427	0.063
Trypanosoma cruzi	hypothetical protein, conserved	0.0025	0.0101	0.208
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0018	0.0054	0.0064
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0025	0.0101	0.2138
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0247	0.1639	1
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0018	0.0054	0.1012
Leishmania major	farnesyltransferase beta subunit	0.0067	0.0393	0.9187
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0173	0.3883
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.0067	0.0393	0.2046
Plasmodium vivax	SET domain protein, putative	0.0035	0.0173	0.3513
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0025	0.0101	0.2138
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0029	0.0103
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0025	0.0101	0.0476
Toxoplasma gondii	aldehyde dehydrogenase	0.0072	0.0427	1
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0018	0.0054	0.0064
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0025	0.0101	0.2138
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.0029	0.0178
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.0427	0.0415
Brugia malayi	Pre-SET motif family protein	0.0247	0.1639	1
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0031	0.0142	0.3044
Mycobacterium tuberculosis	Probable histidinol dehydrogenase HisD (HDH)	0.1456	1	1
Loa Loa (eye worm)	sphingosine-1-phosphate lyase 1	0.0012	0.0012	0.0075
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0067	0.0393	0.2046
Loa Loa (eye worm)	flap endonuclease-1	0.0031	0.0142	0.0867
Trypanosoma brucei	geranylgeranyl transferase type II beta subunit, putative	0.0018	0.0054	0.0984
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0029	0.0395
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0072	0.0427	1
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0025	0.0101	0.1377
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0018	0.0054	0.1012
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0173	0.3883
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0025	0.0101	0.208
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0025	0.0101	0.2327
Trichomonas vaginalis	flap endonuclease-1, putative	0.0031	0.0142	0.0697
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.0427	0.0415
Trypanosoma brucei	cytochrome P450, putative	0.0015	0.0029	0.0395
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0018	0.0054	0.0331
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.0067	0.0393	0.0579
Onchocerca volvulus		0.0281	0.1875	1
Trypanosoma cruzi	lanosterol synthase, putative	0.0074	0.0439	1
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0025	0.0101	0.208
Giardia lamblia	Rab geranylgeranyltransferase	0.0025	0.0101	0.1377
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.0018	0.0054	0.0984
Loa Loa (eye worm)	glutamate decarboxylase GAD1	0.0012	0.0012	0.0075
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.0067	0.0393	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0025	0.0101	0.208
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0963	0.6594	1
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0049	0.0267	0.6277
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0054	0.0331
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0025	0.0101	0.208
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0173	0.3883
Giardia lamblia	Rab geranylgeranyltransferase	0.0025	0.0101	0.1377
Loa Loa (eye worm)	TDC-1 protein	0.0012	0.0012	0.0075
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0025	0.0101	0.2138
Echinococcus granulosus	flap endonuclease 1	0.0031	0.0142	0.3128
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0067	0.0393	0.2046
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0025	0.0101	0.0135
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0173	0.3883
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0025	0.0101	0.1377
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0029	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0012	0.0075
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0067	0.0393	0.2046
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0015	0.0029	0.0017
Leishmania major	cytochrome p450-like protein	0.0015	0.0029	0.0405
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0067	0.0393	0.8939
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0012	0.0075
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0018	0.0054	0.0225
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0164	0.3666
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.0067	0.0393	1
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0025	0.0101	0.0135
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0173	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0173	0.1058
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0054	0.0984
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0025	0.0101	0.208
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0025	0.0101	0.0476
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0025	0.0101	0.0545
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0018	0.0054	0.0225
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0029	0.0395
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0072	0.0427	0.0415
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0067	0.0393	0.24
Schistosoma mansoni	flap endonuclease-1	0.0028	0.0121	0.2633
Loa Loa (eye worm)	aromatic L-amino acid decarboxylase	0.0012	0.0012	0.0075
Echinococcus multilocularis	flap endonuclease 1	0.0031	0.0142	0.0197
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.0067	0.0393	1
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0025	0.0101	0.2327
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0018	0.0054	0.0258
Brugia malayi	Pre-SET motif family protein	0.0035	0.0173	0.099
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0025	0.0101	0.1377
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0067	0.0393	0.2343

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 1200 nM	Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras	ChEMBL.	12773050
IC50 (binding)	> 1200 nM	Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras	ChEMBL.	12773050

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 132537