Page last updated: 2024-12-07

ne 58051

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Description

NE 58051: inhibits tumor cell adhesion to extracellular matrices; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID128523
CHEMBL ID293522
SCHEMBL ID8710665
MeSH IDM0281599

Synonyms (30)

Synonym
ne 58051
CHEMBL293522 ,
(1-hydroxy-1-phosphono-3-pyridin-3-yl-propyl)-phosphonic acid(ne58051,homorisedronate)
3-(3-hydroxy-3,3-bis-phosphono-propyl)-pyridinium
1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyldiphosphonic acid
3-(3-pyridyl)-1-hydroxy-propane-1,1-bisphosphonate
bdbm50098382
3-(3-hydrogen phosphonato-3-hydroxy-3-phosphonatopropyl)pyridin-1-ium
(1-hydroxy-1-phosphono-3-pyridin-3-yl-propyl)-phosphonic acid
(1-hydroxy-1-phosphono-3-pyridin-3-ylpropyl)phosphonic acid
phosphonic acid, (1-hydroxy-3-(3-pyridinyl)propylidene)bis-
plw2tn7b39 ,
unii-plw2tn7b39
104261-69-0
(1-hydroxy-3-(3-pyridinyl)propylidene)bisphosphonic acid
3-(3-pyridyl)-1-hydroxypropylidene bisphosphonic acid
ne-58051
ILROXFQHACCDLA-UHFFFAOYSA-N
[1-hydroxy-3-(3-pyridinyl)propylidene]bis[phosphonic acid]
SCHEMBL8710665
HRX ,
[1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)
DTXSID70146363
homorisedronate
Q27461202
p,p'-[1-hydroxy-3-(3-pyridinyl)propylidene]bis[phosphonic acid]
ne-058051
phosphonic acid, p,p'-[1-hydroxy-3-(3-pyridinyl)propylidene]bis-
[1-hydroxy-1-phosphono-3-(pyridin-3-yl)propyl]phosphonic acid
(1-oxidanyl-1-phosphono-3-pyridin-3-yl-propyl)phosphonic acid
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (2)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Geranylgeranyl pyrophosphate synthaseHomo sapiens (human)IC50 (µMol)410.00000.00401.02764.5000AID74507
Farnesyl pyrophosphate synthaseHomo sapiens (human)IC50 (µMol)2.37020.00020.71099.3600AID1205922; AID1205923; AID318593; AID318594; AID72181; AID72667; AID72669
Farnesyl pyrophosphate synthaseHomo sapiens (human)Ki0.31690.00010.21651.9000AID318593; AID318594; AID72668
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (6)

Processvia Protein(s)Taxonomy
isoprenoid metabolic processGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
geranyl diphosphate biosynthetic processGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
geranylgeranyl diphosphate biosynthetic processGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
farnesyl diphosphate biosynthetic processGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
isoprenoid biosynthetic processGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
cholesterol biosynthetic processFarnesyl pyrophosphate synthaseHomo sapiens (human)
geranyl diphosphate biosynthetic processFarnesyl pyrophosphate synthaseHomo sapiens (human)
farnesyl diphosphate biosynthetic processFarnesyl pyrophosphate synthaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (8)

Processvia Protein(s)Taxonomy
dimethylallyltranstransferase activityGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
farnesyltranstransferase activityGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
geranyltranstransferase activityGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
protein bindingGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
identical protein bindingGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
metal ion bindingGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
prenyltransferase activityGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
RNA bindingFarnesyl pyrophosphate synthaseHomo sapiens (human)
protein bindingFarnesyl pyrophosphate synthaseHomo sapiens (human)
metal ion bindingFarnesyl pyrophosphate synthaseHomo sapiens (human)
dimethylallyltranstransferase activityFarnesyl pyrophosphate synthaseHomo sapiens (human)
geranyltranstransferase activityFarnesyl pyrophosphate synthaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (5)

Processvia Protein(s)Taxonomy
nucleoplasmGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
cytoplasmGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
cytosolGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
Z discGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
perinuclear region of cytoplasmGeranylgeranyl pyrophosphate synthaseHomo sapiens (human)
nucleoplasmFarnesyl pyrophosphate synthaseHomo sapiens (human)
cytosolFarnesyl pyrophosphate synthaseHomo sapiens (human)
cytoplasmFarnesyl pyrophosphate synthaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (46)

Assay IDTitleYearJournalArticle
AID71581pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using individual observed maximum TNF-alpha release2004Journal of medicinal chemistry, Jan-15, Volume: 47, Issue:2
Quantitative structure-activity relationships for gammadelta T cell activation by bisphosphonates.
AID1894095Antiparasitic activity against Trypanosoma cruzi amastigotes infected in vero cells assessed as parasite growth inhibition incubated for 48 hrs by light microscopy2021Journal of medicinal chemistry, 02-11, Volume: 64, Issue:3
Bisphosphonates, Old Friends of Bones and New Trends in Clinics.
AID249161Lethal dose required to inhibit the growth of human KB (nasopharyngeal carcinoma) cell line2005Journal of medicinal chemistry, May-05, Volume: 48, Issue:9
Bisphosphonate inhibitors of Toxoplasma gondi growth: in vitro, QSAR, and in vivo investigations.
AID71579Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells, using individual observed maximum TNF-alpha release2004Journal of medicinal chemistry, Jan-15, Volume: 47, Issue:2
Quantitative structure-activity relationships for gammadelta T cell activation by bisphosphonates.
AID208084In vitro growth inhibition of bloodstream-form Trypanosoma brucei rhodesiense Trypomastigotes2002Journal of medicinal chemistry, Jul-04, Volume: 45, Issue:14
Activity of bisphosphonates against Trypanosoma brucei rhodesiense.
AID1894098Antiparasitic activity against Plasmodium falciparum 3D7 infected in human erythrocyte assessed as intraerythrocytic growth inhibition incubated for 24 hrs followed by [3H]hypoxanthine addition by microbeta scintillation counter analysis2021Journal of medicinal chemistry, 02-11, Volume: 64, Issue:3
Bisphosphonates, Old Friends of Bones and New Trends in Clinics.
AID318595Inhibition of bone resorption in rat assessed as phosphate2008Journal of medicinal chemistry, Apr-10, Volume: 51, Issue:7
Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase.
AID210617Inhibition of Toxoplasma gondii tachyzoites in human foreskin fibroblast monolayer(DMEM with 10%fetal calf serum)2001Journal of medicinal chemistry, Mar-15, Volume: 44, Issue:6
Bisphosphonates inhibit the growth of Trypanosoma brucei, Trypanosoma cruzi, Leishmania donovani, Toxoplasma gondii, and Plasmodium falciparum: a potential route to chemotherapy.
AID275054Antibacterial activity against Escherichia coli W31102006Journal of medicinal chemistry, Dec-14, Volume: 49, Issue:25
Isoprenoid biosynthesis as a drug target: bisphosphonate inhibition of Escherichia coli K12 growth and synergistic effects of fosmidomycin.
AID74507Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).2002Journal of medicinal chemistry, May-23, Volume: 45, Issue:11
Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates and diphosphates: a potential route to new bone antiresorption and antiparasitic agents.
AID229223Percent infected vero cells was determined2001Journal of medicinal chemistry, Mar-15, Volume: 44, Issue:6
Bisphosphonates inhibit the growth of Trypanosoma brucei, Trypanosoma cruzi, Leishmania donovani, Toxoplasma gondii, and Plasmodium falciparum: a potential route to chemotherapy.
AID1205919Inhibition of Leishmania donovani FPPS2015ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3
Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
AID208217Predicted pIC50 against Trypomastigotes Brucei rhodesiense.2002Journal of medicinal chemistry, Jul-04, Volume: 45, Issue:14
Activity of bisphosphonates against Trypanosoma brucei rhodesiense.
AID71580pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using a constrained maximum TNF-alpha release of 2700 pg/mL2004Journal of medicinal chemistry, Jan-15, Volume: 47, Issue:2
Quantitative structure-activity relationships for gammadelta T cell activation by bisphosphonates.
AID1894094Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 bloodstream trypomastigotes assessed as parasite growth inhibition incubated for 3 days by Alamar Blue fluorometric assay2021Journal of medicinal chemistry, 02-11, Volume: 64, Issue:3
Bisphosphonates, Old Friends of Bones and New Trends in Clinics.
AID1205922Inhibition of human FPPS in absence of pre-incubation of compound with enzyme2015ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3
Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
AID244679Therapeutic index (TI) value as ratio of lethal dose (LD50) to the inhibitory concentration (IC50)2005Journal of medicinal chemistry, May-05, Volume: 48, Issue:9
Bisphosphonate inhibitors of Toxoplasma gondi growth: in vitro, QSAR, and in vivo investigations.
AID151353Inhibition of Plasmodium falciparum 3D7 in erythrocytes2001Journal of medicinal chemistry, Mar-15, Volume: 44, Issue:6
Bisphosphonates inhibit the growth of Trypanosoma brucei, Trypanosoma cruzi, Leishmania donovani, Toxoplasma gondii, and Plasmodium falciparum: a potential route to chemotherapy.
AID214471Effect on proliferation of Trypanosoma cruzi Amastigotes in vero cells at a conc of 150 uM was determined2001Journal of medicinal chemistry, Mar-15, Volume: 44, Issue:6
Bisphosphonates inhibit the growth of Trypanosoma brucei, Trypanosoma cruzi, Leishmania donovani, Toxoplasma gondii, and Plasmodium falciparum: a potential route to chemotherapy.
AID214469Inhibition of Trypanosoma cruzi Amastigotes was determined in Vero cells culture and fetal calf serum2001Journal of medicinal chemistry, Mar-15, Volume: 44, Issue:6
Bisphosphonates inhibit the growth of Trypanosoma brucei, Trypanosoma cruzi, Leishmania donovani, Toxoplasma gondii, and Plasmodium falciparum: a potential route to chemotherapy.
AID184809Bone resorption activity in rats.2002Journal of medicinal chemistry, Jul-04, Volume: 45, Issue:14
An investigation of bone resorption and Dictyostelium discoideum growth inhibition by bisphosphonate drugs.
AID72668Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand2003Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24
3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates.
AID1205923Inhibition of human FPPS using pre-incubation of compound with enzyme2015ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3
Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
AID340706Inhibition of farnesyl diphosphate synthase at 100 nM2008Journal of medicinal chemistry, Jul-24, Volume: 51, Issue:14
Determination of the microscopic equilibrium dissociation constants for risedronate and its analogues reveals two distinct roles for the nitrogen atom in nitrogen-containing bisphosphonate drugs.
AID318594Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins2008Journal of medicinal chemistry, Apr-10, Volume: 51, Issue:7
Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase.
AID340434Antimicrobial activity against Dictyostelium discoideum2008Journal of medicinal chemistry, Jul-24, Volume: 51, Issue:14
Determination of the microscopic equilibrium dissociation constants for risedronate and its analogues reveals two distinct roles for the nitrogen atom in nitrogen-containing bisphosphonate drugs.
AID318593Inhibition of human recombinant FPPS expressed in Escherichia coli BL212008Journal of medicinal chemistry, Apr-10, Volume: 51, Issue:7
Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase.
AID158550In vitro growth inhibition against Plasmodium falciparum2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Effects of bisphosphonates on the growth of Entamoeba histolytica and Plasmodium species in vitro and in vivo.
AID72669Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)2003Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24
3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates.
AID9382850% lethal dose for inhibition of KB cells growth2002Journal of medicinal chemistry, Jul-04, Volume: 45, Issue:14
Activity of bisphosphonates against Trypanosoma brucei rhodesiense.
AID55429Ability to inhibit growth of Dictostelium discoideum.2002Journal of medicinal chemistry, Jul-04, Volume: 45, Issue:14
An investigation of bone resorption and Dictyostelium discoideum growth inhibition by bisphosphonate drugs.
AID496819Antimicrobial activity against Plasmodium falciparum2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1205920Inhibition of Trypanosoma brucei FPPS2015ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3
Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
AID72667Inhibitory activity against farnesyl Pyrophosphate Synthase was determined2003Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24
3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates.
AID208225Inhibition of Trypanosoma rhodesiense (strain STIB900) was determined using blood stream from trypomastigotes2001Journal of medicinal chemistry, Mar-15, Volume: 44, Issue:6
Bisphosphonates inhibit the growth of Trypanosoma brucei, Trypanosoma cruzi, Leishmania donovani, Toxoplasma gondii, and Plasmodium falciparum: a potential route to chemotherapy.
AID1205921Inhibition of Trypanosoma brucei rhodesiense FPPS2015ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3
Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
AID496826Antimicrobial activity against Entamoeba histolytica2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID71578Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells, using a constrained maximum TNF-alpha release of 2700 pg/mL2004Journal of medicinal chemistry, Jan-15, Volume: 47, Issue:2
Quantitative structure-activity relationships for gammadelta T cell activation by bisphosphonates.
AID1894097Antiparasitic activity against Toxoplasma gondii tachyzoites infected in human foreskin fibroblast incubated for 48 hrs followed by [5,6-3H]uracil addition and measured after 4 hrs by scintillation counter analysis2021Journal of medicinal chemistry, 02-11, Volume: 64, Issue:3
Bisphosphonates, Old Friends of Bones and New Trends in Clinics.
AID72181Inhibitory activity against the human recombinant FPPSase (Farnesyl diphosphate) enzyme2002Journal of medicinal chemistry, May-23, Volume: 45, Issue:11
Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates and diphosphates: a potential route to new bone antiresorption and antiparasitic agents.
AID248772In vitro inhibitory concentration against the growth of Toxoplasma gondii in human foreskin fibroblast monolayer cells (HFF cells)2005Journal of medicinal chemistry, May-05, Volume: 48, Issue:9
Bisphosphonate inhibitors of Toxoplasma gondi growth: in vitro, QSAR, and in vivo investigations.
AID96034Toxicity evaluated against human nasopharyngeal carcinoma KB cell line2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Effects of bisphosphonates on the growth of Entamoeba histolytica and Plasmodium species in vitro and in vivo.
AID95764Inhibition of L. donovani (Amastigotes) strain MHOM/ET/67/L82 maintained in female golden hamsters2001Journal of medicinal chemistry, Mar-15, Volume: 44, Issue:6
Bisphosphonates inhibit the growth of Trypanosoma brucei, Trypanosoma cruzi, Leishmania donovani, Toxoplasma gondii, and Plasmodium falciparum: a potential route to chemotherapy.
AID235219Therapeutic index measured as the ratio of LD50 (KB cells) to IC50 (T.b. rhodesiense)2002Journal of medicinal chemistry, Jul-04, Volume: 45, Issue:14
Activity of bisphosphonates against Trypanosoma brucei rhodesiense.
AID67525In vitro growth inhibition against Entamoeba histolytica2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Effects of bisphosphonates on the growth of Entamoeba histolytica and Plasmodium species in vitro and in vivo.
AID1894096Antiparasitic activity against amastigote stage Leishmania donovani MHOM/ET/67/L82 infected in CD-1 mouse peritoneal macrophage assessed as reduction in parasite burden incubated for 5 days by Giemsa staining based microscopy2021Journal of medicinal chemistry, 02-11, Volume: 64, Issue:3
Bisphosphonates, Old Friends of Bones and New Trends in Clinics.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (17)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's1 (5.88)18.2507
2000's12 (70.59)29.6817
2010's3 (17.65)24.3611
2020's1 (5.88)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.33

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.33 (24.57)
Research Supply Index2.89 (2.92)
Research Growth Index5.22 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.33)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (5.88%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other16 (94.12%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]