TDR Targets

Basic information

Technical information

TDR Targets ID: 180631
Name: 1-phosphonopentylphosphonic acid
MW: 232.109 | Formula: C5H14O6P2
H donors: 4 H acceptors: 6 LogP: -1.47 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC(P(=O)(O)O)P(=O)(O)O
InChi: 1S/C5H14O6P2/c1-2-3-4-5(12(6,7)8)13(9,10)11/h5H,2-4H2,1H3,(H2,6,7,8)(H2,9,10,11)
InChiKey: IRYOZLKMXHUGKP-UHFFFAOYSA-N

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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

pentane diphosphonate
4672-28-0
Pentylidenebisphosphonic acid

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
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate 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 japonicum	ko:K00787 dimethylallyltranstransferase [EC2.5.1.1], 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
Leishmania infantum	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 major	farnesyl pyrophosphate synthase	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
Neospora caninum	hypothetical protein	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
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
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, putative	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
Echinococcus granulosus	farnesyl pyrophosphate synthase	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 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
Theileria parva	farnesyl pyrophosphate synthetase, putative	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
Trypanosoma brucei	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
Candida albicans	similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase)	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
Babesia bovis	farnesyl pyrophosphate synthetase, 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
Candida albicans	similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase)	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
Plasmodium berghei	geranylgeranyl 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
Leishmania braziliensis	farnesyl pyrophosphate synthase	Get druggable targets OG5_127590	All targets in OG5_127590
Loa Loa (eye worm)	polyprenyl synthetase	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
Giardia lamblia	Farnesyl diphosphate 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
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	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
Schistosoma mansoni	hypothetical protein	0.0069	0.0784	0.0797
Trypanosoma cruzi	polyprenyl synthase, putative	0.0031	0.0164	0.0495
Onchocerca volvulus		0.0028	0.0114	0.037
Brugia malayi	hypothetical protein	0.0035	0.0226	0.07
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0129	0.1763	0.1794
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0114	0.0354
Plasmodium vivax	acyl-CoA synthetase, putative	0.0042	0.0333	0.1987
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0069	0.0784	0.0784
Echinococcus granulosus	prenyl decaprenyl diphosphate synthase	0.0031	0.0164	0.0167
Schistosoma mansoni	geranylgeranyl pyrophosphate synthase	0.0031	0.0164	0.0167
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0056	0.0562	0.3196
Echinococcus multilocularis	inositol monophosphatase 1	0.0054	0.0528	0.0528
Mycobacterium ulcerans	hypothetical protein	0.0056	0.0562	0.3196
Mycobacterium ulcerans	polyprenyl synthetase IdsB	0.0031	0.0164	0.0762
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0056	0.0562	1
Schistosoma mansoni	inositol monophosphatase	0.0054	0.0528	0.0537
Brugia malayi	beta-lactamase family protein	0.0028	0.0114	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0333	0.1032
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0056	0.0562	0.3196
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0202	0.2941	1
Entamoeba histolytica	hypothetical protein	0.0054	0.0529	0.9388
Brugia malayi	Cytochrome P450 family protein	0.0087	0.107	0.332
Loa Loa (eye worm)	TAR-binding protein	0.0181	0.2611	0.81
Trypanosoma cruzi	hypothetical protein, conserved	0.0028	0.0114	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0114	0.0354
Schistosoma mansoni	tar DNA-binding protein	0.0181	0.2611	0.2656
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0333	0.1032
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0095	0.121	0.4075
Schistosoma mansoni	transcription factor LCR-F1	0.0054	0.0529	0.0538
Brugia malayi	Pre-SET motif family protein	0.0148	0.2061	0.6395
Echinococcus granulosus	inositol monophosphatase 1	0.0054	0.0528	0.0537
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0124	0.1673	1
Schistosoma mansoni	hypothetical protein	0.015	0.2094	0.213
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0054	0.0528	0.2142
Brugia malayi	beta-NAC-like protein	0.0022	0.0019	0.006
Schistosoma mansoni	hypothetical protein	0.0624	0.9831	1
Trypanosoma cruzi	hypothetical protein	0.0043	0.0361	0.1169
Brugia malayi	Coelomocyte uptake defective protein 5	0.009	0.1118	0.347
Trypanosoma cruzi	PAB1-binding protein , putative	0.0035	0.0226	0.0705
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0028	0.0117	0.0334
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0043	0.0361	0.0367
Echinococcus multilocularis	decaprenyl diphosphate synthase subunit 1	0.0031	0.0164	0.0164
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0129	0.1763	0.1794
Loa Loa (eye worm)	hypothetical protein	0.0024	0.004	0.0126
Trypanosoma cruzi	farnesyl pyrophosphate synthase	0.0124	0.1673	0.566
Plasmodium falciparum	acyl-CoA synthetase	0.0042	0.0333	0.1893
Mycobacterium tuberculosis	Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase)	0.0031	0.0164	0.0202
Entamoeba histolytica	hypothetical protein	0.0054	0.0529	0.9388
Echinococcus multilocularis	prenyl (decaprenyl) diphosphate synthase	0.0031	0.0164	0.0164
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0219	0.3223	1
Trichomonas vaginalis	Sentrin-specific protease, putative	0.0043	0.0361	0.1438
Brugia malayi	latrophilin 2 splice variant baaae	0.015	0.2094	0.6497
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0048	0.0436	0.72
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, putative	0.0124	0.1673	0.6965
Brugia malayi	RNA recognition motif domain containing protein	0.0181	0.2611	0.81
Plasmodium falciparum	geranylgeranyl pyrophosphate synthase, putative	0.0124	0.1673	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0069	0.0784	0.0784
Brugia malayi	Inositol-1	0.0054	0.0528	0.1638
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0129	0.1763	0.1763
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0129	0.1763	0.1794
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0562	0.1743
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0054	0.0528	0.2989
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0024	0.004	0.0126
Loa Loa (eye worm)	beta-lactamase	0.0028	0.0114	0.0354
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.004	0.0123
Echinococcus granulosus	transcription factor btf3	0.0022	0.0019	0.002
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0024	0.004	0.0089
Mycobacterium tuberculosis	Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase)	0.0031	0.0164	0.0202
Trichomonas vaginalis	inositol monophosphatase, putative	0.0054	0.0528	0.2142
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0054	0.0529	0.0538
Loa Loa (eye worm)	polyprenyl synthetase	0.0031	0.0164	0.0509
Schistosoma mansoni	hypothetical protein	0.0069	0.0784	0.0797
Echinococcus granulosus	geminin	0.0624	0.9831	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0056	0.0562	0.1808
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0056	0.0562	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.0296	0.0733
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0124	0.1673	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0056	0.0562	0.3196
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0024	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0211	0.3089	0.9582
Loa Loa (eye worm)	hypothetical protein	0.0219	0.3223	1
Echinococcus granulosus	GPCR family 2	0.0069	0.0784	0.0797
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0124	0.1673	0.6965
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0054	0.0528	0.174
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0219	0.3223	1
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.0031	0.0164	0.0495
Brugia malayi	TAR-binding protein	0.0181	0.2611	0.81
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0048	0.0436	0.1302
Entamoeba histolytica	bifunctional short chain isoprenyl diphosphate synthase, putative	0.0031	0.0164	0.2668
Mycobacterium leprae	PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE)	0.0031	0.0164	0.1116
Brugia malayi	geranylgeranyl pyrophosphate synthetase	0.0031	0.0164	0.0509
Schistosoma mansoni	hypothetical protein	0.0054	0.0529	0.0538
Schistosoma mansoni	trans-prenyltransferase	0.0031	0.0164	0.0167
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0028	0.0114	0.0116
Trypanosoma cruzi	polyprenyl synthase, putative	0.0031	0.0164	0.0495
Brugia malayi	hypothetical protein	0.0054	0.0529	0.164
Entamoeba histolytica	acyl-coA synthetase, putative	0.0056	0.0562	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0069	0.0784	0.2432
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0056	0.0562	0.3196
Echinococcus multilocularis	geminin	0.0624	0.9831	0.9831
Plasmodium falciparum	ataxin-2 like protein, putative	0.0035	0.0226	0.1246
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0181	0.2611	0.81
Leishmania major	cytochrome p450-like protein	0.0024	0.004	0.0069
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0056	0.0562	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0056	0.0562	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0042	0.0333	0.0882
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	0.0124	0.1673	0.566
Trypanosoma brucei	cytochrome P450, putative	0.0024	0.004	0.0069
Loa Loa (eye worm)	Ulp1 protease	0.0043	0.0361	0.112
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0028	0.0114	0.0116
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0219	0.3223	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0028	0.0114	0.0114
Schistosoma mansoni	glutathione synthetase	0.0031	0.0164	0.0167
Leishmania major	hypothetical protein, conserved	0.0028	0.0114	0.0324
Entamoeba histolytica	geranylgeranyl pyrophosphate synthase, putative	0.0031	0.0164	0.2668
Mycobacterium ulcerans	hypothetical protein	0.0106	0.1386	0.8242
Trypanosoma brucei	solanesyl-diphosphate synthase, putative	0.0031	0.0164	0.0495
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0202	0.2941	1
Brugia malayi	AMP-binding enzyme family protein	0.0056	0.0562	0.1743
Echinococcus granulosus	sentrin specific protease 8	0.0043	0.0361	0.0367
Entamoeba histolytica	hypothetical protein	0.0054	0.0529	0.9388
Leishmania major	polyprenyl synthase, putative	0.0031	0.0164	0.0495
Mycobacterium ulcerans	beta-lactamase	0.0028	0.0114	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0784	0.2432
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0028	0.0114	0.0456
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0129	0.1763	0.5471
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0024	0.004	0.0388
Plasmodium vivax	ataxin-2 like protein, putative	0.0035	0.0226	0.1348
Echinococcus multilocularis	neuropeptide s receptor	0.0296	0.4477	0.4477
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.0296	0.0733
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0056	0.0562	0.1808
Brugia malayi	Polyprenyl synthetase family protein	0.0031	0.0164	0.0509
Schistosoma mansoni	tar DNA-binding protein	0.0181	0.2611	0.2656
Mycobacterium ulcerans	acyl-CoA synthetase	0.0056	0.0562	0.3196
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0043	0.0361	0.112
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0024	0.004	0.0041
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.0031	0.0164	0.0495
Onchocerca volvulus		0.0028	0.0114	0.037
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0043	0.0361	0.1438
Trypanosoma brucei	PAB1-binding protein , putative	0.0035	0.0226	0.0705
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0024	0.004	0.0041
Trichomonas vaginalis	D-aminoacylase, putative	0.0028	0.0114	0.0399
Echinococcus multilocularis	ubiquitin specific protease 41	0.0024	0.004	0.004
Trypanosoma cruzi	cytochrome P450, putative	0.0024	0.004	0.0069
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0028	0.0117	0.0334
Trichomonas vaginalis	D-aminoacylase, putative	0.0028	0.0114	0.0399
Echinococcus multilocularis	sentrin specific protease 8	0.0043	0.0361	0.0361
Echinococcus multilocularis	neuropeptide receptor A26	0.0296	0.4477	0.4477
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0028	0.0114	0.0354
Plasmodium vivax	octaprenyl pyrophosphate synthase, putative	0.0031	0.0164	0.0981
Toxoplasma gondii	ABC1 family protein	0.0028	0.0114	0.0682
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0054	0.0528	0.3156
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0054	0.0528	0.174
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0148	0.2061	0.6395
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0031	0.0164	0.0981
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0069	0.0784	0.0797
Entamoeba histolytica	hypothetical protein	0.0054	0.0529	0.9388
Brugia malayi	hypothetical protein	0.0023	0.0023	0.0072
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0129	0.1763	0.5471
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0202	0.2941	1
Onchocerca volvulus		0.0168	0.2394	0.775
Trypanosoma cruzi	hypothetical protein, conserved	0.0028	0.0114	0.0324
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.0296	0.0733
Schistosoma mansoni	hypothetical protein	0.0069	0.0784	0.0797
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0024	0.004	0.0072
Trichomonas vaginalis	esterase, putative	0.0028	0.0114	0.0399
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0024	0.004	0.0089
Toxoplasma gondii	LsmAD domain-containing protein	0.0035	0.0226	0.1348
Plasmodium vivax	geranylgeranyl pyrophosphate synthase	0.0124	0.1673	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0056	0.0562	0.1856
Echinococcus granulosus	farnesyl pyrophosphate synthase	0.0124	0.1673	0.1702
Schistosoma mansoni	tar DNA-binding protein	0.0181	0.2611	0.2656
Echinococcus granulosus	decaprenyl diphosphate synthase subunit 1	0.0031	0.0164	0.0167
Schistosoma mansoni	hypothetical protein	0.0069	0.0784	0.0797
Echinococcus granulosus	neuropeptide s receptor	0.0296	0.4477	0.4554
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0028	0.0114	0.0354
Toxoplasma gondii	hypothetical protein	0.0033	0.0185	0.1105
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0095	0.121	0.4075
Schistosoma mansoni	tar DNA-binding protein	0.0181	0.2611	0.2656
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.0296	0.0733
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0095	0.121	0.4075
Schistosoma mansoni	tar DNA-binding protein	0.0181	0.2611	0.2656
Loa Loa (eye worm)	mucolipin 1	0.009	0.1118	0.347
Echinococcus granulosus	neuropeptide receptor A26	0.0296	0.4477	0.4554
Plasmodium falciparum	octaprenyl pyrophosphate synthase	0.0031	0.0164	0.0875
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0043	0.0361	0.1438
Trichomonas vaginalis	penicillin-binding protein, putative	0.0028	0.0114	0.0399
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0024	0.004	0.0041
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0129	0.1763	0.1794
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0042	0.0333	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0056	0.0562	0.1856
Echinococcus granulosus	ubiquitin specific protease 41	0.0024	0.004	0.0041
Brugia malayi	Polyprenyl synthetase family protein	0.0124	0.1673	0.5191
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0028	0.0117	0.0334
Mycobacterium ulcerans	acyl-CoA synthetase	0.0056	0.0562	0.3196
Onchocerca volvulus		0.0028	0.0114	0.037
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.004	0.0089
Trypanosoma cruzi	PAB1-binding protein , putative	0.0035	0.0226	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0562	0.1743
Leishmania major	hypothetical protein, conserved	0.0035	0.0226	0.0705
Loa Loa (eye worm)	polyprenyl synthetase	0.0124	0.1673	0.5191
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0114	0.0682
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0054	0.0528	0.2142
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0069	0.0784	0.2432
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0024	0.004	0.004
Schistosoma mansoni	mucolipin	0.0082	0.0996	0.1013
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0043	0.0361	0.1438
Leishmania major	farnesyl pyrophosphate synthase	0.0124	0.1673	0.566
Brugia malayi	Cytochrome P450 family protein	0.0024	0.004	0.0123
Echinococcus multilocularis	tar DNA binding protein	0.0181	0.2611	0.2611
Onchocerca volvulus		0.0211	0.3089	1
Trypanosoma brucei	farnesyl pyrophosphate synthase	0.0124	0.1673	0.566
Leishmania major	4-coumarate:coa ligase-like protein	0.0056	0.0562	0.1856
Brugia malayi	Cytochrome P450 family protein	0.0024	0.004	0.0123
Schistosoma mansoni	inositol monophosphatase	0.0054	0.0528	0.0537
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0024	0.004	0.0072
Treponema pallidum	octaprenyl-diphosphate synthase	0.0031	0.0164	0.5
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0054	0.0528	0.9376
Brugia malayi	beta-lactamase	0.0028	0.0114	0.0354
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0124	0.1673	1
Mycobacterium ulcerans	lipase LipD	0.0028	0.0114	0.0456
Onchocerca volvulus		0.0056	0.0562	0.1819
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0114	0.0354
Schistosoma mansoni	hypothetical protein	0.0624	0.9831	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0024	0.004	0.0072
Plasmodium vivax	basic transcription factor 3b, putative	0.0022	0.0019	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0114	0.0354
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0054	0.0528	0.174
Entamoeba histolytica	geranylgeranyl pyrophosphate synthetase, putative	0.0031	0.0164	0.2668
Echinococcus multilocularis	geranylgeranyl pyrophosphate synthase	0.0031	0.0164	0.0164
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0054	0.0528	0.174
Loa Loa (eye worm)	RNA binding protein	0.0181	0.2611	0.81
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0024	0.004	0.0041
Trypanosoma cruzi	cytochrome P450, putative	0.0024	0.004	0.0069
Loa Loa (eye worm)	hypothetical protein	0.015	0.2094	0.6497
Echinococcus multilocularis	GPCR, family 2	0.0069	0.0784	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0333	0.1032
Loa Loa (eye worm)	geranylgeranyl pyrophosphate synthetase	0.0031	0.0164	0.0509
Mycobacterium ulcerans	esterase/lipase LipP	0.0028	0.0114	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0562	0.1743
Echinococcus granulosus	geranylgeranyl pyrophosphate synthase	0.0031	0.0164	0.0167
Mycobacterium ulcerans	polyprenyl diphosphate synthetase, GrcC1	0.0031	0.0164	0.0762
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0043	0.0361	0.6296
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0129	0.1763	0.1794
Loa Loa (eye worm)	ICD-1 protein	0.0022	0.0019	0.006
Brugia malayi	RNA binding protein	0.0181	0.2611	0.81
Trypanosoma cruzi	solanesyl-diphosphate synthase	0.0031	0.0164	0.0495
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0333	0.1032
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase)	0.0124	0.1673	0.6298
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0114	0.0456
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0056	0.0562	0.3196
Echinococcus granulosus	tar DNA binding protein	0.0181	0.2611	0.2656
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0333	0.1032
Brugia malayi	beta-lactamase family protein	0.0028	0.0114	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0226	0.07
Trichomonas vaginalis	D-aminoacylase, putative	0.0028	0.0114	0.0399
Mycobacterium tuberculosis	Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate	0.0031	0.0164	0.0202
Giardia lamblia	Farnesyl diphosphate synthase	0.0124	0.1673	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.004	0.0123
Brugia malayi	Latrophilin receptor protein 2	0.0069	0.0784	0.2432
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0054	0.0528	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0024	0.004	0.0072
Echinococcus multilocularis	mucolipin 3	0.009	0.1118	0.1118
Loa Loa (eye worm)	cytochrome P450 family protein	0.0087	0.107	0.332
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0035	0.0218	0.068
Leishmania major	mitochondrial DNA polymerase beta	0.0202	0.2941	1
Echinococcus granulosus	mucolipin 3	0.009	0.1118	0.1138
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0054	0.0529	0.0529
Echinococcus multilocularis	transcription factor btf3	0.0022	0.0019	0.0019
Leishmania major	solanesyl-diphosphate synthase, putative	0.0031	0.0164	0.0495
Loa Loa (eye worm)	CYP4Cod1	0.0024	0.004	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0114	0.0354
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.018	0.2589	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0106	0.1386	0.5138
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0069	0.0784	0.0797
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0129	0.1763	0.1763
Schistosoma mansoni	farnesyl pyrophosphate synthase	0.0124	0.1673	0.1702
Echinococcus multilocularis	farnesyl pyrophosphate synthase	0.0124	0.1673	0.1673
Brugia malayi	hypothetical protein	0.0211	0.3089	0.9582
Brugia malayi	AMP-binding enzyme family protein	0.0056	0.0562	0.1743
Brugia malayi	AMP-binding enzyme family protein	0.0056	0.0562	0.1743
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0028	0.0117	0.0334
Trichomonas vaginalis	penicillin-binding protein, putative	0.0028	0.0114	0.0399
Echinococcus granulosus	beta LACTamase domain containing family member	0.0028	0.0114	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0114	0.0354
Toxoplasma gondii	NAC domain-containing protein	0.0022	0.0019	0.0116
Plasmodium falciparum	ataxin-2 like protein, putative	0.0035	0.0226	0.1246
Trypanosoma brucei	hypothetical protein, conserved	0.0028	0.0114	0.0324
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0124	0.1673	0.6965
Trichomonas vaginalis	set domain proteins, putative	0.0168	0.2394	1
Schistosoma mansoni	transcription factor btf3	0.0022	0.0019	0.002
Schistosoma mansoni	mucolipin	0.009	0.1118	0.1138
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0042	0.0333	0.1793
Loa Loa (eye worm)	inositol-1	0.0054	0.0528	0.1638

Activities

Activity type	Activity value	Assay description	Source	Reference
Count (functional)	= 61.2	Effect of compound on osteoclasts formation (compound concentration of 100 nM and RANKL at 50 ng/ml) as observed in clonal RAW264.7 cells	ChEMBL.	15743175
Count (functional)	= 62.4	Effect of compound on osteoclasts formation (compound concentration of 100 nM, RANKL at 50 ng/ml and ODQ at 10 uM) as observed in clonal RAW264.7 cells	ChEMBL.	15743175
IC50 (binding)	= 5.71 uM	Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase	ChEMBL.	12951099
IC50 (binding)	= 5.71 uM	Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase	ChEMBL.	12951099
IC50 (functional)	> 70 uM	Inhibitory concentration against Trypanosoma cruzi (epimastigotes)	ChEMBL.	12951099
IC50 (functional)	> 70 uM	Inhibitory concentration against Trypanosoma cruzi (amastigotes)	ChEMBL.	12951099
IC50 (functional)	> 70 uM	Inhibitory concentration against Trypanosoma cruzi (epimastigotes)	ChEMBL.	12951099
IC50 (functional)	> 70 uM	Inhibitory concentration against Trypanosoma cruzi (amastigotes)	ChEMBL.	12951099
Ki (binding)	= 0.79 uM	Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)	ChEMBL.	12951099
Ki (binding)	= 0.79 uM	Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)	ChEMBL.	12951099

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

Search by CAS
ChEMBL: CHEMBL322551
PubChem: 165259

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 180631