Compound Detail
CHEMBL147307
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Basic Information
| ChEMBL ID | CHEMBL147307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBJCQTTVNQVVSH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
5.21
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosinetriphosphatase CHEMBL2770 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosinetriphosphatase | IC50 | = | 4900.0 | nM | 5.31 | Compound was tested for in vitro inhibition of osteoclast vacuolar acid pump | 10743958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743958 | 10.1016/s0960-894x(00)00025-1 | Adenosinetriphosphatase | 1 |
Data from ChEMBL 36 via Core Engine