Compound Detail
CHEMBL99369
PIRIDRONIC ACID 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL99369 |
| Name | PIRIDRONIC ACID |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NGMZSXZBZNXBGX-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
3
Known Names
Molecular Properties
267.1
MW (Da)
0.31
ALogP
3
HBA
4
HBD
128.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 3 meas. best 7.52
Ki 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | Ki | 8.35 | 7.88 | 4.5 | 2 |
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 7.52 | 7.055 | 30.4 | 2 |
| Dictyostelium discoideum CHEMBL612373 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Ki | = | 4.45 | nM | 8.35 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10... | 18327899 |
| Farnesyl pyrophosphate synthase | IC50 | = | 30.4 | nM | 7.52 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10... | 18327899 |
| Farnesyl pyrophosphate synthase | Ki | = | 38.95 | nM | 7.41 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | 18327899 |
| Farnesyl pyrophosphate synthase | IC50 | = | 258.8 | nM | 6.59 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | 18327899 |
| Dictyostelium discoideum | IC50 | = | 20000.0 | nM | 4.7 | Ability to inhibit growth of Dictostelium discoideum. | 12086477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18327899 | 10.1021/jm7015733 | Farnesyl pyrophosphate synthase | 4 |
| 12086477 | 10.1021/jm010279+ | Rattus norvegicus | 1 |
| 12086477 | 10.1021/jm010279+ | Dictyostelium discoideum | 1 |
| 18327899 | 10.1021/jm7015733 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine