TDR Targets

Basic information

Technical information

TDR Targets ID: 81757
Name: [(cyclobutylamino)-phosphonomethyl]phosphonic acid
MW: 245.107 | Formula: C5H13NO6P2
H donors: 5 H acceptors: 6 LogP: -4.96 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OP(=O)(C(P(=O)(O)O)NC1CCC1)O
InChi: 1S/C5H13NO6P2/c7-13(8,9)5(14(10,11)12)6-4-2-1-3-4/h4-6H,1-3H2,(H2,7,8,9)(H2,10,11,12)
InChiKey: UNLQCNUHOMXEEC-UHFFFAOYSA-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

[(cyclobutylamino)-phosphono-methyl]phosphonic acid
124351-87-7
NSC723993
[[(cyclobutyl)amino]methylene]-1,1-bisphosphonate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	farnesyl diphosphate synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	polyprenyl synthetase	Get druggable targets OG5_127590	All targets in OG5_127590
Leishmania major	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Plasmodium vivax	geranylgeranyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Trypanosoma congolense	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Plasmodium yoelii	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Leishmania donovani	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Schistosoma japonicum	ko:K00787 dimethylallyltranstransferase [EC2.5.1.1], putative	Get druggable targets OG5_127590	All targets in OG5_127590
Trypanosoma cruzi	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Cryptosporidium parvum	putative farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Brugia malayi	Polyprenyl synthetase family protein	Get druggable targets OG5_127590	All targets in OG5_127590
Candida albicans	similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase)	Get druggable targets OG5_127590	All targets in OG5_127590
Toxoplasma gondii	polyprenyl synthetase superfamily protein	Get druggable targets OG5_127590	All targets in OG5_127590
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase)	Get druggable targets OG5_127590	All targets in OG5_127590
Giardia lamblia	Farnesyl diphosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Leishmania infantum	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Leishmania braziliensis	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Trypanosoma brucei	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Candida albicans	similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase)	Get druggable targets OG5_127590	All targets in OG5_127590
Plasmodium knowlesi	geranylgeranyl pyrophosphate synthase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Echinococcus multilocularis	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Schistosoma mansoni	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Leishmania mexicana	farnesyl pyrophosphate synthase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Echinococcus granulosus	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Trypanosoma brucei gambiense	farnesyl pyrophosphate synthase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Babesia bovis	farnesyl pyrophosphate synthetase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Neospora caninum	hypothetical protein	Get druggable targets OG5_127590	All targets in OG5_127590
Plasmodium falciparum	geranylgeranyl pyrophosphate synthase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Theileria parva	farnesyl pyrophosphate synthetase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Plasmodium berghei	geranylgeranyl pyrophosphate synthase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Cryptosporidium hominis	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590

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
Brugia malayi	Papain family cysteine protease containing protein	0.0053	0.0252	0.0252
Brugia malayi	Papain family cysteine protease containing protein	0.0036	0.0059	0.0059
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0036	0.0059	0.0188
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0034	0.0031	0.0031
Plasmodium vivax	vivapain-3	0.0053	0.0252	0.2386
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0036	0.0059	0.0059
Plasmodium vivax	serine-repeat antigen (SERA)	0.0036	0.0059	0.0556
Echinococcus granulosus	cysteine protease	0.0053	0.0252	0.0252
Echinococcus multilocularis	cathepsin L cysteine protease	0.0078	0.0536	0.0536
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0036	0.0059	0.0059
Entamoeba histolytica	cysteine protease, putative	0.0036	0.0059	0.1097
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0036	0.0059	0.1097
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Echinococcus granulosus	cathepsin b	0.0908	1	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0036	0.0059	0.0556
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0078	0.0536	0.5069
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0059	0.0059
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Entamoeba histolytica	hypothetical protein	0.0036	0.0059	0.1097
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.0536	0.1551
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0078	0.0536	0.5069
Brugia malayi	cathepsin L-like precursor	0.0061	0.0342	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0342	0.0342
Echinococcus multilocularis	cathepsin L	0.0053	0.0252	0.0252
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0306	0.3133	1
Brugia malayi	Papain family cysteine protease containing protein	0.0036	0.0059	0.0059
Plasmodium vivax	geranylgeranyl pyrophosphate synthase	0.0124	0.1057	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0059	0.0059
Schistosoma mansoni	cathepsin S (C01 family)	0.0036	0.0059	0.0059
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0036	0.0059	0.0059
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0036	0.0059	0.0059
Onchocerca volvulus		0.0078	0.0536	1
Trypanosoma cruzi	farnesyl pyrophosphate synthase	0.0124	0.1057	0.1057
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0342	0.0342
Loa Loa (eye worm)	polyprenyl synthetase	0.0124	0.1057	0.1057
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0036	0.0059	0.0556
Giardia lamblia	Farnesyl diphosphate synthase	0.0124	0.1057	0.3246
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0124	0.1057	1
Toxoplasma gondii	cathepsin CPC2	0.0036	0.0059	0.0188
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0034	0.0031	0.0031
Plasmodium vivax	vivapain-2	0.0078	0.0536	0.5069
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.0536	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0908	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Brugia malayi	Cathepsin L-like precursor	0.0078	0.0536	0.0536
Plasmodium vivax	vivapain-2	0.0078	0.0536	0.5069
Trypanosoma brucei	farnesyl pyrophosphate synthase	0.0124	0.1057	0.3372
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0036	0.0059	0.0556
Onchocerca volvulus	Cathepsin L homolog	0.0078	0.0536	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0306	0.3133	0.3133
Onchocerca volvulus	Cathepsin L homolog	0.0078	0.0536	1
Trypanosoma cruzi	cysteine protease, putative	0.0053	0.0252	0.0252
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0036	0.0059	0.0059
Entamoeba histolytica	cysteine protease, putative	0.0036	0.0059	0.1097
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0124	0.1057	0.3246
Loa Loa (eye worm)	hypothetical protein	0.0908	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0059	0.0059
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0908	1	1
Plasmodium falciparum	serine repeat antigen 4	0.0036	0.0059	0.0556
Schistosoma mansoni	cathepsin B (C01 family)	0.0036	0.0059	0.0059
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.0031	0	0.5
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0036	0.0059	0.0059
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0306	0.3133	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0908	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0061	0.0342	0.0342
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0061	0.0342	0.0342
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0036	0.0059	0.0556
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.0536	0.1551
Treponema pallidum	octaprenyl-diphosphate synthase	0.0031	0	0.5
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0078	0.0536	0.0536
Plasmodium falciparum	serine repeat antigen 5	0.0036	0.0059	0.0556
Brugia malayi	Papain family cysteine protease containing protein	0.0078	0.0536	0.0536
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0053	0.0252	0.0252
Loa Loa (eye worm)	fibroinase	0.0078	0.0536	0.0536
Trypanosoma cruzi	cruzipain precursor, putative	0.0078	0.0536	0.0536
Toxoplasma gondii	cathepsin B	0.0306	0.3133	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.0036	0.0059	0.0059
Schistosoma mansoni	cathepsin C	0.0036	0.0059	0.0059
Brugia malayi	cathepsin L precursor	0.0036	0.0059	0.0059
Brugia malayi	Cathepsin L-like precursor	0.0078	0.0536	0.0536
Brugia malayi	Cathepsin L-like precursor	0.0078	0.0536	0.0536
Leishmania major	farnesyl pyrophosphate synthase	0.0124	0.1057	0.3372
Brugia malayi	Cathepsin L-like precursor	0.0061	0.0342	0.0342
Entamoeba histolytica	cysteine proteinase 1, putative	0.0053	0.0252	0.4706
Echinococcus granulosus	cathepsin l1	0.0078	0.0536	0.0536
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase)	0.0124	0.1057	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0053	0.0252	0.0805
Onchocerca volvulus		0.0078	0.0536	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0072	0.047	0.047
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0078	0.0536	0.0536
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0036	0.0059	0.0556
Leishmania major	cathepsin L-like protease	0.0078	0.0536	0.1709
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0078	0.0536	0.0536
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Trypanosoma brucei	ferric reductase transmembrane protein, putative	0.0034	0.0031	0.01
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0306	0.3133	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0036	0.0059	0.0059
Echinococcus multilocularis	cathepsin b	0.0908	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.0536	0.1551
Brugia malayi	Papain family cysteine protease containing protein	0.0036	0.0059	0.0059
Leishmania major	cathepsin L-like protease	0.0078	0.0536	0.1709
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0078	0.0536	0.5069
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0342	0.0342
Plasmodium vivax	vivapain-1	0.0053	0.0252	0.2386
Plasmodium vivax	serine-repeat antigen (SERA)	0.0036	0.0059	0.0556
Leishmania major	cathepsin L-like protease	0.0078	0.0536	0.1709
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0053	0.0252	0.0252
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.0031	0	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.0536	0.0536
Loa Loa (eye worm)	ctsf protein	0.0078	0.0536	0.0536
Toxoplasma gondii	cathepsin CPL	0.0078	0.0536	0.1709
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0053	0.0252	0.0805
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Onchocerca volvulus		0.0061	0.0342	0.5946
Trypanosoma cruzi	major cysteine proteinase, putative	0.0036	0.0059	0.0059
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0036	0.0059	0.0059
Entamoeba histolytica	cysteine protease, putative	0.0036	0.0059	0.1097
Brugia malayi	cathepsin F-like cysteine proteinase	0.0036	0.0059	0.0059
Loa Loa (eye worm)	cysteine protease	0.0078	0.0536	0.0536
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.0536	0.1551
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0053	0.0252	0.0252
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0124	0.1057	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0342	0.0922
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0908	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0053	0.0252	0.4706
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0036	0.0059	0.0556
Leishmania major	cathepsin L-like protease	0.0078	0.0536	0.1709
Onchocerca volvulus		0.0078	0.0536	1
Plasmodium falciparum	serine repeat antigen 6	0.0036	0.0059	0.0556
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	0.0124	0.1057	0.1057
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0036	0.0059	0.0556
Entamoeba histolytica	cysteine protease, putative	0.0036	0.0059	0.1097
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Onchocerca volvulus		0.0078	0.0536	1
Leishmania major	cysteine peptidase A (CPA)	0.0078	0.0536	0.1709
Echinococcus multilocularis	cysteine protease	0.0078	0.0536	0.0536
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0036	0.0059	0.0059
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0124	0.1057	0.3246
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.0536	0.1551
Echinococcus multilocularis	farnesyl pyrophosphate synthase	0.0124	0.1057	0.1057
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.0536	0.0536
Trypanosoma cruzi	cysteine proteinase, putative	0.0053	0.0252	0.0252
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, putative	0.0124	0.1057	0.3246
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0908	1	1
Brugia malayi	fibroinase precursor	0.0036	0.0059	0.0059
Trypanosoma cruzi	cysteine peptidase, putative	0.0053	0.0252	0.0252
Plasmodium falciparum	serine repeat antigen 7	0.0036	0.0059	0.0556
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Onchocerca volvulus		0.0078	0.0536	1
Plasmodium falciparum	serine repeat antigen 9	0.0036	0.0059	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0059	0.0059
Brugia malayi	Polyprenyl synthetase family protein	0.0124	0.1057	0.1057
Leishmania major	cathepsin L-like protease	0.0078	0.0536	0.1709
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Plasmodium falciparum	geranylgeranyl pyrophosphate synthase, putative	0.0124	0.1057	1
Loa Loa (eye worm)	cathepsin B	0.0306	0.3133	0.3133
Trypanosoma cruzi	cysteine proteinase, putative	0.0053	0.0252	0.0252
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.0536	0.1551
Entamoeba histolytica	cysteine proteinase 2	0.0053	0.0252	0.4706
Echinococcus multilocularis	cathepsin L	0.0036	0.0059	0.0059
Onchocerca volvulus	Dual oxidase homolog	0.0072	0.047	0.862
Giardia lamblia	Cathepsin B precursor	0.0306	0.3133	1
Plasmodium falciparum	serine repeat antigen 1	0.0036	0.0059	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0059	0.0059
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Entamoeba histolytica	cysteine proteinase, putative	0.0053	0.0252	0.4706
Entamoeba histolytica	cysteine proteinase, putative	0.0061	0.0342	0.6391
Plasmodium vivax	unspecified product	0.0036	0.0059	0.0556
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0306	0.3133	0.3133
Giardia lamblia	Cathepsin B precursor	0.0306	0.3133	1
Plasmodium falciparum	serine repeat antigen 3	0.0036	0.0059	0.0556
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Schistosoma mansoni	cathepsin F (C01 family)	0.0078	0.0536	0.0536
Entamoeba histolytica	cysteine protease, putative	0.0078	0.0536	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0342	0.0922
Echinococcus granulosus	cathepsin L cysteine protease	0.0053	0.0252	0.0252
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.0536	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0036	0.0059	0.0059
Entamoeba histolytica	cysteine proteinase, putative	0.0053	0.0252	0.4706
Schistosoma mansoni	cathepsin F (C01 family)	0.0061	0.0342	0.0342
Onchocerca volvulus	Cathepsin F homolog	0.0078	0.0536	1
Leishmania major	cathepsin L-like protease	0.0078	0.0536	0.1709
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0036	0.0059	0.0059
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0036	0.0059	0.0556
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0252	0.0629
Schistosoma mansoni	cathepsin F (C01 family)	0.0078	0.0536	0.0536
Brugia malayi	Blistered cuticle protein 3	0.0072	0.047	0.047
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.0536	0.0536
Brugia malayi	Papain family cysteine protease containing protein	0.0053	0.0252	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Leishmania major	ferric reductase, putative	0.0034	0.0031	0.01
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.0536	0.0536
Onchocerca volvulus		0.0078	0.0536	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0036	0.0059	0.0059
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.0536	0.1551
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0036	0.0059	0.0556
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Entamoeba histolytica	cysteine protease, putative	0.0036	0.0059	0.1097
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0036	0.0059	0.0059
Echinococcus granulosus	cathepsin L	0.0053	0.0252	0.0252
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0036	0.0059	0.0059
Echinococcus multilocularis	cathepsin b	0.0908	1	1
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.0536	0.1551
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0036	0.0059	0.0556
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0036	0.0059	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0536	0.0536
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Schistosoma mansoni	farnesyl pyrophosphate synthase	0.0124	0.1057	0.1057
Brugia malayi	Cathepsin L-like precursor	0.0078	0.0536	0.0536
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0124	0.1057	0.3372
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0078	0.0536	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0082	0.0082
Echinococcus multilocularis	cysteine protease	0.0078	0.0536	0.0536
Toxoplasma gondii	cathepsin CPC1	0.0036	0.0059	0.0188
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Chlamydia trachomatis	geranylgeranyl pyrophosphate synthase	0.0031	0	0.5
Entamoeba histolytica	cysteine protease, putative	0.0036	0.0059	0.1097
Echinococcus granulosus	cathepsin b	0.0908	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0036	0.0059	0.0059
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0036	0.0059	0.0556
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0036	0.0059	0.1097
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Echinococcus granulosus	cathepsin L	0.0036	0.0059	0.0059
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0078	0.0536	0.0536
Mycobacterium leprae	PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE)	0.0031	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0252	0.4706
Leishmania major	cathepsin L-like protease	0.0078	0.0536	0.1709
Echinococcus granulosus	cathepsin l1	0.0061	0.0342	0.0342
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0036	0.0059	0.0059
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0053	0.0252	0.2386
Plasmodium falciparum	serine repeat antigen 2	0.0036	0.0059	0.0556
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.0536	0.1551
Giardia lamblia	Cathepsin B precursor	0.0306	0.3133	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0078	0.0536	0.1551
Brugia malayi	Cathepsin L-like precursor	0.0078	0.0536	0.0536
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0036	0.0059	0.0556
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0053	0.0252	0.0252
Leishmania major	cathepsin L-like protease	0.0078	0.0536	0.1709
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Plasmodium vivax	unspecified product	0.0053	0.0252	0.2386
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0078	0.0536	0.0536
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.0536	0.1551
Brugia malayi	Cathepsin L-like precursor	0.0061	0.0342	0.0342
Plasmodium falciparum	serine repeat antigen 8	0.0036	0.0059	0.0556
Brugia malayi	Cathepsin L-like precursor	0.0078	0.0536	0.0536
Echinococcus multilocularis	cathepsin L cysteine protease	0.0078	0.0536	0.0536
Entamoeba histolytica	cysteine proteinase, putative	0.0053	0.0252	0.4706
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0078	0.0536	0.1551
Echinococcus granulosus	farnesyl pyrophosphate synthase	0.0124	0.1057	0.1057
Onchocerca volvulus		0.0078	0.0536	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.0536	0.1709
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0252	0.0629

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= -5.49	Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)	ChEMBL.	14613320
IC50 (binding)	= 3.3 uM	Inhibitory activity against farnesyl Pyrophosphate Synthase was determined	ChEMBL.	14613320
IC50 (binding)	= 3.3 uM	Inhibitory activity against farnesyl Pyrophosphate Synthase was determined	ChEMBL.	14613320
IC50 (functional)	= 56 uM	Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells, using individual observed maximum TNF-alpha release	ChEMBL.	14711309
IC50 (functional)	= 120.9 uM	In vitro inhibitory concentration against the growth of Toxoplasma gondii in human foreskin fibroblast monolayer cells (HFF cells)	ChEMBL.	15857119
IC50 (functional)	= 127 uM	Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells, using a constrained maximum TNF-alpha release of 2700 pg/mL	ChEMBL.	14711309
IC50 (functional)	> 200 uM	In vitro growth inhibition against Entamoeba histolytica	ChEMBL.	14695831
IC50 (functional)	> 200 uM	In vitro growth inhibition against Plasmodium falciparum	ChEMBL.	14695831
IC50 (functional)	> 200 uM	In vitro growth inhibition against Entamoeba histolytica	ChEMBL.	14695831
IC50 (functional)	> 200 uM	In vitro growth inhibition against Plasmodium falciparum	ChEMBL.	14695831
IC50 (functional)	= 200 uM	Antimicrobial activity against Plasmodium falciparum	ChEMBL.	20185316
IC50 (functional)	= 200 uM	Antimicrobial activity against Entamoeba histolytica	ChEMBL.	20185316
IZ (functional)	= 0 mm	Antibacterial activity against Escherichia coli W3110	ChEMBL.	17149863
IZ (functional)	= 0 mm	Antibacterial activity against Escherichia coli W3110	ChEMBL.	17149863
Ki (binding)	= 0.31 uM	Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand	ChEMBL.	14613320
Ki (binding)	= 0.31 uM	Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand	ChEMBL.	14613320
LD50 (ADMET)	= 260 uM	Toxicity evaluated against human nasopharyngeal carcinoma KB cell line	ChEMBL.	14695831
LD50 (ADMET)	= 260 uM	Toxicity evaluated against human nasopharyngeal carcinoma KB cell line	ChEMBL.	14695831
LD50 (functional)	= 260 uM	Lethal dose required to inhibit the growth of human KB (nasopharyngeal carcinoma) cell line	ChEMBL.	15857119
Log IC50 (functional)	= 3.9	pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using a constrained maximum TNF-alpha release of 2700 pg/mL	ChEMBL.	14711309
Log IC50 (functional)	= 4.25	pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using individual observed maximum TNF-alpha release	ChEMBL.	14711309
Log IC50 (binding)	= 5.49	Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)	ChEMBL.	14613320

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

ChEMBL: CHEMBL54926
PubChem: 406077

Bibliographic References

4 literature references were collected for this gene.

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Detailed information for compound 81757