Compound Detail
CHEMBL1198855
RONACALERET 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1198855 |
| Name | RONACALERET |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FQJISUPNMFRIFZ-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
5
Publications
2
Known Names
2
Indications
1
Mechanisms
Molecular Properties
447.5
MW (Da)
3.90
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Calcium sensing receptor antagonist | ANTAGONIST | Extracellular calcium-sensing receptor | ✓ | ✓ |
Indications
Fractures, Bone Osteoporosis
Activity Summary
IC50 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | IC50 | 6.84 | 6.84 | 146.0 | 1 |
| Extracellular calcium-sensing receptor CHEMBL2516 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 90.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 8.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 300.0 | nM | Rattus norvegicus |
| F | 12.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 146.0 | nM | 6.84 | Negative allosteric modulator activity at human recombinant calcium sensing rece... | 19442519 |
| Extracellular calcium-sensing receptor | IC50 | = | 320.0 | nM | 6.5 | Negative allosteric modulator activity at rat calcium sensing receptor expressed... | 19442519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19442519 | 10.1016/j.bmcl.2009.04.044 | Rattus norvegicus | 3 |
| 19442519 | 10.1016/j.bmcl.2009.04.044 | Liver microsomes | 2 |
| 19442519 | 10.1016/j.bmcl.2009.04.044 | Extracellular calcium-sensing receptor | 2 |
| 19442519 | 10.1016/j.bmcl.2009.04.044 | No relevant target | 1 |
| 19442519 | 10.1016/j.bmcl.2009.04.044 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine