Compound Detail
CHEMBL100335
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Basic Information
| ChEMBL ID | CHEMBL100335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMVOBMKURSHNFJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
0.50
ALogP
5
HBA
5
HBD
140.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| Mus musculus CHEMBL375 | IC50 | 7.4 | 6.11 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 5.129 | nM | 8.29 | Negative logarithm of inhibitory concentration against bone resorption | 12825934 |
| Mus musculus | IC50 | = | 40.0 | nM | 7.4 | Inhibition of bone resorption in the calvaria assay of mouse | 12166945 |
| Mus musculus | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of bone mineralization in the calvaria assay of mouse | 12166945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825934 | 10.1021/jm030054u | Farnesyl pyrophosphate synthase | 2 |
| 12166945 | 10.1021/jm020819i | Mus musculus | 2 |
| 12166945 | 10.1021/jm020819i | Rattus norvegicus | 1 |
| 12166945 | 10.1021/jm020819i | Unchecked | 1 |
| 12166945 | 10.1021/jm020819i | ADMET | 1 |
Data from ChEMBL 36 via Core Engine