TDR Targets

Basic information

Technical information

TDR Targets ID: 83383
Name: [(isoquinolin-1-ylamino)-phosphonomethyl]phos phonic acid
MW: 318.16 | Formula: C10H12N2O6P2
H donors: 5 H acceptors: 7 LogP: -0.97 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OP(=O)(C(P(=O)(O)O)Nc1nccc2c1cccc2)O
InChi: 1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
InChiKey: JPVMIOWESIQIGB-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

[(1-isoquinolylamino)-phosphono-methyl]phosphonic acid
[(1-isoquinolylamino)-phosphonomethyl]phosphonic acid
[(isoquinolin-1-ylamino)-phosphono-methyl]phosphonic acid
(3-isoquinolylamine)methylene-1,1-bisphosphonate
NSC723273
[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
(3-ISOQUINOLYLAMINE) METHYLENE-1,1-BISPHOSPHONATE
IMB

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Leishmania donovani	farnesyl pyrophosphate synthase	Starlite/ChEMBL	References
Homo sapiens	farnesyl diphosphate synthase	Starlite/ChEMBL	References
Escherichia coli	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
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
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	Get druggable targets OG5_127590	All targets in OG5_127590
Plasmodium berghei	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Cryptosporidium hominis	farnesyl pyrophosphate synthase	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
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium yoelii	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
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Mycobacterium ulcerans	geranylgeranyl 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
Leishmania infantum	farnesyl pyrophosphate synthase	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
Leishmania braziliensis	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Plasmodium yoelii	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Babesia bovis	farnesyl pyrophosphate synthetase, putative	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
Trypanosoma congolense	farnesyl pyrophosphate synthase	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
Leishmania mexicana	farnesyl 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
Candida albicans	similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase)	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
Babesia bovis	1-deoxy-D-xylulose 5-phosphate reductoisomerase family protein	Get druggable targets OG5_130462	All targets in OG5_130462
Chlamydia trachomatis	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	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
Toxoplasma gondii	polyprenyl synthetase superfamily protein	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
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Theileria parva	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	Get druggable targets OG5_130462	All targets in OG5_130462
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
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	Get druggable targets OG5_130462	All targets in OG5_130462
Loa Loa (eye worm)	polyprenyl synthetase	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
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase)	Get druggable targets OG5_127590	All targets in OG5_127590
Plasmodium knowlesi	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, 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
Leishmania major	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
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Giardia lamblia	Farnesyl diphosphate 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

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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0052	0.0223	0.0441
Schistosoma mansoni	cathepsin F (C01 family)	0.0189	0.3091	0.6125
Onchocerca volvulus	Cathepsin L homolog	0.0283	0.5047	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0283	0.5047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Plasmodium falciparum	serine repeat antigen 8	0.0052	0.0223	0.0223
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0283	0.5047	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0189	0.3091	0.6125
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0248	0.4311	0.405
Plasmodium vivax	serine-repeat antigen (SERA)	0.0052	0.0223	0.0223
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0052	0.0223	0.0441
Giardia lamblia	Farnesyl diphosphate synthase	0.0248	0.4311	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0283	0.5047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0283	0.5047	1
Loa Loa (eye worm)	polyprenyl synthetase	0.0062	0.0438	0.0868
Brugia malayi	Cathepsin L-like precursor	0.0189	0.3091	0.6125
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0223	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0223	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0223	0.0441
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Echinococcus multilocularis	cysteine protease	0.0283	0.5047	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0223	0.0441
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Plasmodium vivax	unspecified product	0.0146	0.2179	0.2179
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Leishmania major	cathepsin L-like protease	0.0283	0.5047	1
Brugia malayi	fibroinase precursor	0.0052	0.0223	0.0441
Onchocerca volvulus		0.0283	0.5047	1
Schistosoma mansoni	cathepsin C	0.0052	0.0223	0.0441
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.0223	0.0441
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0248	0.4311	0.4311
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1087	0.2153
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0223	0.0441
Trypanosoma cruzi	cysteine proteinase, putative	0.0146	0.2179	0.4316
Brugia malayi	Cathepsin L-like precursor	0.0094	0.1087	0.2153
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0223	0.0441
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0052	0.0223	0.0223
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0223	0.0441
Brugia malayi	cathepsin L-like precursor	0.0189	0.3091	0.6125
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	0.0248	0.4311	0.8541
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0223	0.0441
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0094	0.1087	0.2153
Leishmania major	solanesyl-diphosphate synthase, putative	0.0062	0.0438	0.0868
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0052	0.0223	0.0441
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.2179	0.4316
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0052	0.0223	0.0441
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0248	0.4311	0.8473
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0146	0.2179	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.0223	0.0441
Schistosoma mansoni	cathepsin F (C01 family)	0.0283	0.5047	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0146	0.2179	0.4316
Plasmodium vivax	vivapain-3	0.0146	0.2179	0.2179
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0052	0.0223	0.0223
Echinococcus multilocularis	geranylgeranyl pyrophosphate synthase	0.0062	0.0438	0.0868
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.1581	0.3132
Schistosoma mansoni	farnesyl pyrophosphate synthase	0.0248	0.4311	0.8541
Echinococcus granulosus	cathepsin b	0.0052	0.0223	0.0441
Brugia malayi	cathepsin B-like cysteine proteinase	0.0052	0.0223	0.0441
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	0.052	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0283	0.5047	1
Trypanosoma cruzi	polyprenyl synthase, putative	0.0062	0.0438	0.0868
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0052	0.0223	0.0441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0052	0.0223	0.0441
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Brugia malayi	Papain family cysteine protease containing protein	0.0146	0.2179	0.4316
Entamoeba histolytica	cysteine proteinase 2	0.0146	0.2179	0.4316
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0283	0.5047	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0283	0.5047	1
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.0062	0.0438	0.0868
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0283	0.5047	0.5047
Echinococcus granulosus	cathepsin L cysteine protease	0.0146	0.2179	0.4316
Entamoeba histolytica	cysteine proteinase, putative	0.0189	0.3091	0.6125
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0146	0.2179	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0146	0.2179	0.2179
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0052	0.0223	0.0223
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Plasmodium vivax	vivapain-2	0.0283	0.5047	0.5047
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Entamoeba histolytica	cysteine proteinase, putative	0.0283	0.5047	1
Loa Loa (eye worm)	hypothetical protein	0.0189	0.3091	0.6125
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0052	0.0223	0.0223
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0223	0.0441
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.052	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0052	0.0223	0.0441
Brugia malayi	Cathepsin L-like precursor	0.0283	0.5047	1
Brugia malayi	Polyprenyl synthetase family protein	0.0248	0.4311	0.8541
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0146	0.2179	0.4316
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0223	0.0441
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0283	0.5047	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0052	0.0223	0.0441
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0283	0.5047	0.5047
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0052	0.0223	0.0223
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0062	0.0438	0.0438
Schistosoma mansoni	cathepsin S (C01 family)	0.0052	0.0223	0.0441
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0248	0.4311	0.8473
Leishmania major	farnesyl pyrophosphate synthase	0.0248	0.4311	0.8541
Brugia malayi	Cathepsin L-like precursor	0.0283	0.5047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Brugia malayi	Cathepsin L-like precursor	0.0283	0.5047	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0146	0.2179	0.4316
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Brugia malayi	geranylgeranyl pyrophosphate synthetase	0.0062	0.0438	0.0868
Plasmodium falciparum	serine repeat antigen 5	0.0052	0.0223	0.0223
Trypanosoma cruzi	cysteine peptidase, putative	0.0094	0.1087	0.2153
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Loa Loa (eye worm)	ctsf protein	0.0283	0.5047	1
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0052	0.0223	0.0223
Trypanosoma cruzi	cysteine peptidase, putative	0.0283	0.5047	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0052	0.0223	0.0441
Echinococcus granulosus	geranylgeranyl pyrophosphate synthase	0.0062	0.0438	0.0868
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Echinococcus granulosus	cathepsin l1	0.0283	0.5047	1
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.0223	0.0441
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.0223	0.0441
Onchocerca volvulus		0.0283	0.5047	1
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0052	0.0223	0.0223
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0052	0.0223	0.0441
Brugia malayi	Cathepsin L-like precursor	0.0283	0.5047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Echinococcus granulosus	cysteine protease	0.0146	0.2179	0.4316
Entamoeba histolytica	cysteine proteinase 1, putative	0.0146	0.2179	0.4316
Plasmodium vivax	vivapain-2	0.0283	0.5047	0.5047
Echinococcus granulosus	cathepsin L	0.0146	0.2179	0.4316
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0283	0.5047	1
Echinococcus multilocularis	cathepsin b	0.0052	0.0223	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0283	0.5047	1
Onchocerca volvulus	Cathepsin L homolog	0.0283	0.5047	1
Plasmodium vivax	unspecified product	0.0052	0.0223	0.0223
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0223	0.0441
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0283	0.5047	1
Entamoeba histolytica	bifunctional short chain isoprenyl diphosphate synthase, putative	0.0062	0.0438	0.0868
Trypanosoma brucei	solanesyl-diphosphate synthase, putative	0.0062	0.0438	0.0868
Entamoeba histolytica	cysteine proteinase, putative	0.0146	0.2179	0.4316
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0052	0.0223	0.0441
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0052	0.0223	0.0223
Leishmania major	cysteine peptidase A (CPA)	0.0283	0.5047	1
Entamoeba histolytica	cysteine proteinase, putative	0.0146	0.2179	0.4316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.2179	0.4316
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.0062	0.0438	0.0868
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0052	0.0223	0.0441
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0283	0.5047	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0052	0.0223	0.0441
Brugia malayi	cathepsin L precursor	0.0052	0.0223	0.0441
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Onchocerca volvulus		0.0283	0.5047	1
Plasmodium vivax	unspecified product	0.0094	0.1087	0.1087
Echinococcus granulosus	prenyl decaprenyl diphosphate synthase	0.0062	0.0438	0.0868
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0223	0.0441
Leishmania major	cathepsin L-like protease	0.0283	0.5047	1
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0052	0.0223	0.0441
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0283	0.5047	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0094	0.1087	0.2153
Echinococcus multilocularis	cathepsin b	0.0052	0.0223	0.0441
Plasmodium vivax	serine-repeat antigen (SERA)	0.0052	0.0223	0.0223
Trypanosoma cruzi	cysteine peptidase, putative	0.0146	0.2179	0.4316
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0223	0.0441
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0283	0.5047	1
Loa Loa (eye worm)	fibroinase	0.0283	0.5047	1
Plasmodium falciparum	octaprenyl pyrophosphate synthase	0.0062	0.0438	0.0438
Echinococcus granulosus	cathepsin L	0.0052	0.0223	0.0441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Echinococcus granulosus	farnesyl pyrophosphate synthase	0.0248	0.4311	0.8541
Echinococcus multilocularis	farnesyl pyrophosphate synthase	0.0248	0.4311	0.8541
Echinococcus multilocularis	cathepsin L cysteine protease	0.0283	0.5047	1
Plasmodium falciparum	serine repeat antigen 4	0.0052	0.0223	0.0223
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0248	0.4311	0.405
Entamoeba histolytica	cysteine proteinase, putative	0.0146	0.2179	0.4316
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0283	0.5047	1
Trypanosoma brucei	farnesyl pyrophosphate synthase	0.0248	0.4311	0.8541
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0189	0.3091	0.5946
Echinococcus granulosus	cathepsin l1	0.0189	0.3091	0.6125
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0283	0.5047	1
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0052	0.0223	0.0223
Plasmodium vivax	vivapain-1	0.0146	0.2179	0.2179
Trypanosoma cruzi	cysteine peptidase, putative	0.0283	0.5047	1
Leishmania major	cathepsin L-like protease	0.0283	0.5047	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0223	0.0441
Toxoplasma gondii	cathepsin CPC2	0.0052	0.0223	0.0223
Entamoeba histolytica	geranylgeranyl pyrophosphate synthase, putative	0.0062	0.0438	0.0868
Toxoplasma gondii	cathepsin B	0.0052	0.0223	0.0223
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0223	0.0441
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0052	0.0223	0.0223
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0283	0.5047	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.0223	0.0441
Onchocerca volvulus		0.0283	0.5047	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0052	0.0223	0.0441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0283	0.5047	1
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0223	0.0441
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0223	0.0441
Brugia malayi	Polyprenyl synthetase family protein	0.0062	0.0438	0.0868
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.052	1	1
Onchocerca volvulus		0.0283	0.5047	1
Entamoeba histolytica	hypothetical protein	0.0052	0.0223	0.0441
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0189	0.3091	0.6125
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, putative	0.0248	0.4311	0.8473
Leishmania major	cathepsin L-like protease	0.0283	0.5047	1
Leishmania major	cathepsin L-like protease	0.0283	0.5047	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0146	0.2179	0.4316
Echinococcus multilocularis	cysteine protease	0.0283	0.5047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0283	0.5047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Schistosoma mansoni	trans-prenyltransferase	0.0062	0.0438	0.0868
Brugia malayi	Cathepsin L-like precursor	0.0283	0.5047	1
Echinococcus granulosus	decaprenyl diphosphate synthase subunit 1	0.0062	0.0438	0.0868
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Echinococcus granulosus	cathepsin b	0.0052	0.0223	0.0441
Brugia malayi	Papain family cysteine protease containing protein	0.0146	0.2179	0.4316
Onchocerca volvulus		0.0283	0.5047	1
Loa Loa (eye worm)	hypothetical protein	0.0189	0.3091	0.6125
Echinococcus multilocularis	decaprenyl diphosphate synthase subunit 1	0.0062	0.0438	0.0868
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1087	0.2153
Brugia malayi	Cathepsin L-like precursor	0.0189	0.3091	0.6125
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Onchocerca volvulus		0.0283	0.5047	1
Loa Loa (eye worm)	geranylgeranyl pyrophosphate synthetase	0.0062	0.0438	0.0868
Plasmodium falciparum	serine repeat antigen 2	0.0052	0.0223	0.0223
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase)	0.0248	0.4311	1
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0223	0.0441
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0052	0.0223	0.0223
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0189	0.3091	0.5946
Brugia malayi	Papain family cysteine protease containing protein	0.0283	0.5047	1
Plasmodium vivax	geranylgeranyl pyrophosphate synthase	0.0248	0.4311	0.4311
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0223	0.0441
Plasmodium falciparum	serine repeat antigen 3	0.0052	0.0223	0.0223
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Entamoeba histolytica	cysteine proteinase, putative	0.0146	0.2179	0.4316
Plasmodium falciparum	serine repeat antigen 1	0.0052	0.0223	0.0223
Trypanosoma cruzi	polyprenyl synthase, putative	0.0062	0.0438	0.0868
Onchocerca volvulus		0.0189	0.3091	0.5946
Schistosoma mansoni	glutathione synthetase	0.0062	0.0438	0.0868
Leishmania major	polyprenyl synthase, putative	0.0062	0.0438	0.0868
Plasmodium falciparum	serine repeat antigen 7	0.0052	0.0223	0.0223
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0223	0.0441
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0052	0.0223	0.0441
Loa Loa (eye worm)	polyprenyl synthetase	0.0248	0.4311	0.8541
Echinococcus multilocularis	prenyl (decaprenyl) diphosphate synthase	0.0062	0.0438	0.0868
Leishmania major	cathepsin L-like protease	0.0283	0.5047	1
Toxoplasma gondii	cathepsin CPC1	0.0052	0.0223	0.0223
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0283	0.5047	1
Brugia malayi	Cathepsin L-like precursor	0.0283	0.5047	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0223	0.0441
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0052	0.0223	0.0223
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0223	0.0441
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Toxoplasma gondii	cathepsin CPL	0.0283	0.5047	0.5047
Brugia malayi	cathepsin L-like cysteine proteinase	0.0052	0.0223	0.0441
Echinococcus multilocularis	cathepsin L	0.0146	0.2179	0.4316
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.0125	0.1745	0.3375
Brugia malayi	MH2 domain containing protein	0.0117	0.1581	0.3132
Trypanosoma cruzi	farnesyl pyrophosphate synthase	0.0248	0.4311	0.8541
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0052	0.0223	0.0223
Echinococcus multilocularis	cathepsin L cysteine protease	0.0283	0.5047	1
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Loa Loa (eye worm)	cysteine protease	0.0283	0.5047	1
Leishmania major	cathepsin L-like protease	0.0283	0.5047	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0052	0.0223	0.0223
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0052	0.0223	0.0441
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Entamoeba histolytica	geranylgeranyl pyrophosphate synthetase, putative	0.0062	0.0438	0.0868
Plasmodium falciparum	serine repeat antigen 9	0.0052	0.0223	0.0223
Brugia malayi	cathepsin F-like cysteine proteinase	0.0052	0.0223	0.0441
Schistosoma mansoni	geranylgeranyl pyrophosphate synthase	0.0062	0.0438	0.0868
Plasmodium falciparum	serine repeat antigen 6	0.0052	0.0223	0.0223
Schistosoma mansoni	cathepsin s	0.0094	0.1087	0.2153
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0283	0.5047	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0146	0.2179	0.4316
Entamoeba histolytica	cysteine proteinase, putative	0.0283	0.5047	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0283	0.5047	0.5047
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.1581	0.3132
Trypanosoma cruzi	solanesyl-diphosphate synthase	0.0062	0.0438	0.0868
Leishmania major	cathepsin L-like protease	0.0283	0.5047	1
Entamoeba histolytica	cysteine protease, putative	0.0283	0.5047	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0283	0.5047	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0283	0.5047	1
Trypanosoma cruzi	cysteine protease, putative	0.0146	0.2179	0.4316
Trypanosoma cruzi	cruzipain precursor, putative	0.0094	0.1087	0.2153
Loa Loa (eye worm)	hypothetical protein	0.0189	0.3091	0.6125
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0094	0.1087	0.2153
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1087	0.2153
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0052	0.0223	0.0441
Echinococcus multilocularis	cathepsin L	0.0052	0.0223	0.0441
Onchocerca volvulus	Cathepsin F homolog	0.0283	0.5047	1
Plasmodium vivax	octaprenyl pyrophosphate synthase, putative	0.0062	0.0438	0.0438
Loa Loa (eye worm)	cathepsin B	0.0052	0.0223	0.0441
Entamoeba histolytica	cysteine protease, putative	0.0146	0.2179	0.4316
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1
Plasmodium falciparum	geranylgeranyl pyrophosphate synthase, putative	0.0248	0.4311	0.4311
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0283	0.5047	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= -6.37	Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)	ChEMBL.	14613320
IC50 (binding)	= 0.43 uM	Inhibitory activity against Leishmania major Farnesyl diphosphate synthase	ChEMBL.	14695831
IC50 (binding)	= 0.43 uM	Inhibitory activity against farnesyl Pyrophosphate Synthase was determined	ChEMBL.	14613320
IC50 (binding)	= 0.43 uM	Inhibitory activity against Leishmania major Farnesyl diphosphate synthase	ChEMBL.	14695831
IC50 (binding)	= 0.43 uM	Inhibitory activity against farnesyl Pyrophosphate Synthase was determined	ChEMBL.	14613320
IC50 (binding)	= 4 uM	Inhibition of Escherichia coli DXR	ChEMBL.	21379374
IC50 (functional)	= 20.89 uM	In vitro inhibitory concentration against the growth of Toxoplasma gondii in human foreskin fibroblast monolayer cells (HFF cells)	ChEMBL.	15857119
IC50 (functional)	= 50 uM	Antimicrobial activity against Plasmodium falciparum	ChEMBL.	20185316
IC50 (functional)	= 50.4 uM	In vitro growth inhibition against Plasmodium falciparum	ChEMBL.	14695831
IC50 (functional)	= 50.4 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 Entamoeba histolytica	ChEMBL.	14695831
IC50 (functional)	= 200 uM	Antimicrobial activity against Entamoeba histolytica	ChEMBL.	20185316
Ki (binding)	= 0.041 uM	Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand	ChEMBL.	14613320
Ki (binding)	= 0.041 uM	Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand	ChEMBL.	14613320
Ki (binding)	= 32.7 uM	Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and MgCl2 as cofactor preincubated for 10 mins	ChEMBL.	21561155
LD50 (ADMET)	= 673 uM	Toxicity evaluated against human nasopharyngeal carcinoma KB cell line	ChEMBL.	14695831
LD50 (ADMET)	= 673 uM	Toxicity evaluated against human nasopharyngeal carcinoma KB cell line	ChEMBL.	14695831
LD50 (functional)	= 673 uM	Lethal dose required to inhibit the growth of human KB (nasopharyngeal carcinoma) cell line	ChEMBL.	15857119
Log IC50 (binding)	= 6.37	Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)	ChEMBL.	14613320
TI (ADMET)	= 13.3	Therapeutic index was expressed as ratio of LD50 for KB cell line to IC50 against Plasmodium falciparum	ChEMBL.	14695831

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: CHEMBL291727
PubChem: 405731

Bibliographic References

4 literature references were 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 83383