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Compound Detail

CHEMBL319144

MINODRONIC ACID
💊 Approved Drug
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💊 Approved Drug
O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL319144
Name MINODRONIC ACID
Phase Approved
Structure Type MOL
InChI Key VMMKGHQPQIEGSQ-UHFFFAOYSA-N

Known Names

Acide minodronique Acido minodronico Minodronate Minodronic acid NSC-725590 ONO-5920 YM 529 YM-529 YM529
7
Targets
19
Activities
2
Assay Types
0
PK Parameters
20
Publications
9
Known Names
2
Indications
1
Mechanisms

Molecular Properties

322.1
MW (Da)
-0.12
ALogP
5
HBA
5
HBD
152.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2009
Availability Unknown
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product

Extended Properties

Molecular Formula C9H12N2O7P2
MW 322.15
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.89

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Farnesyl diphosphate synthase inhibitor INHIBITOR Farnesyl pyrophosphate synthase ✓ ✓

Indications

Osteoporosis Osteoporosis, Postmenopausal

Activity Summary

IC50 17 meas. best 8.72
Ki 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Farnesyl pyrophosphate synthase
CHEMBL1782
 IC50 8.72 8.5867 1.9 3
Unchecked
CHEMBL612545
 IC50 7.3 5.66 50.0 6
Geranylgeranyl pyrophosphate synthase BTS1
CHEMBL1075251
 Ki 6.89 6.89 130.0 1
Geranylgeranyl pyrophosphate synthase BTS1
CHEMBL1075251
 IC50 6.47 6.47 340.0 1
Geranylgeranyl pyrophosphate synthase
CHEMBL4769
 IC50 6.17 4.7867 670.0 3
Farnesyl diphosphate synthase
CHEMBL1075078
 IC50 5.96 5.96 1100.0 1
Geranylgeranyl pyrophosphate synthase
CHEMBL4769
 Ki 5.75 5.75 1800.0 1
HFF
CHEMBL614071
 IC50 5.73 5.73 1880.0 1
J774
CHEMBL614123
 IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Farnesyl pyrophosphate synthase IC50 = 1.9 nM 8.72 Inhibition of human FPPS 25630225
Farnesyl pyrophosphate synthase IC50 = 3.0 nM 8.52 Inhibition of human FPPS after 10 mins using [14C]IPP as substrate by liquid sci... 20394422
Farnesyl pyrophosphate synthase IC50 = 3.0 nM 8.52 Inhibition of FDPS (unknown origin) 31699606
Unchecked IC50 = 50.0 nM 7.3 Inhibition of Sulfolobus solfataricus HPPS 17535895
Geranylgeranyl pyrophosphate synthase BTS1 Ki = 130.0 nM 6.89 Binding affinity to Saccharomyces cerevisiae GGPPS 17535895
Geranylgeranyl pyrophosphate synthase BTS1 IC50 = 340.0 nM 6.47 Inhibition of Saccharomyces cerevisiae GGPPS 17535895
Geranylgeranyl pyrophosphate synthase IC50 = 670.0 nM 6.17 Inhibition of GGPPS after 10 mins using [14C]IPP as substrate by liquid scintill... 20394422
Farnesyl diphosphate synthase IC50 = 1100.0 nM 5.96 Inhibition of Escherichia coli FPPS 17149863
Geranylgeranyl pyrophosphate synthase Ki = 1800.0 nM 5.75 Binding affinity to human GGPPS 17535895
HFF IC50 = 1880.0 nM 5.73 In vitro inhibitory concentration against the growth of Toxoplasma gondii in hum... 15857119
Unchecked IC50 = 2100.0 nM 5.68 Inhibition of Escherichia coli OPPS 17535895
J774 IC50 = 3000.0 nM 5.52 Cytotoxicity against mouse J774 cells assessed as cell viability after 48 hrs by... 20394422
Unchecked IC50 = 4100.0 nM 5.39 Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells... 14711309
Unchecked IC50 = 4073.8 nM 5.39 pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using i... 14711309
Unchecked IC50 = 8000.0 nM 5.1 Inhibitory activity, for stimulation of TNF-alpha release in gamma-delta T cells... 14711309
Unchecked IC50 = 7943.28 nM 5.1 pIC50 value for stimulation of TNF-alpha release in gamma-delta T cells, using a... 14711309
Geranylgeranyl pyrophosphate synthase IC50 = 65000.0 nM 4.19 Inhibition of human GGPPS 17535895
Geranylgeranyl pyrophosphate synthase IC50 = 100000.0 nM 4.0 Inhibition of human recombinant geranylgeranyl diphosphate synthase 18800762

Literature References

PubMed DOI Target Context # Activities
14711309 10.1021/jm0303709 Unchecked 4
20394422 10.1021/jm900232u Unchecked 4
17149863 10.1021/jm060492b Escherichia coli 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
17535895 10.1073/pnas.0702254104 Geranylgeranyl pyrophosphate synthase BTS1 2
17535895 10.1073/pnas.0702254104 Geranylgeranyl pyrophosphate synthase 2
17535895 10.1073/pnas.0702254104 Unchecked 2
18800762 10.1021/jm800325y Geranylgeranyl pyrophosphate synthase 2
20394422 10.1021/jm900232u Geranylgeranyl pyrophosphate synthase 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
31699606 10.1016/j.bmcl.2019.126757 Farnesyl pyrophosphate synthase 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
25630225 10.1016/j.bmcl.2014.12.089 Rattus norvegicus 1
25630225 10.1016/j.bmcl.2014.12.089 Farnesyl pyrophosphate synthase 1
20394422 10.1021/jm900232u J774 1
20394422 10.1021/jm900232u Farnesyl pyrophosphate synthase 1
17149863 10.1021/jm060492b Farnesyl diphosphate synthase 1
15857119 10.1021/jm040132t HFF 1
12086477 10.1021/jm010279+ Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine