Compound Detail
CHEMBL4535055
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Basic Information
| ChEMBL ID | CHEMBL4535055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAIJQSKUAHGDIH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.8
MW (Da)
2.69
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BMDM CHEMBL4296525 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BMDM | IC50 | = | 60.0 | nM | 7.22 | Anti-osteoporosis activity in C57BL/6 mouse bone marrow macrophages assessed as ... | 31125222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31125222 | 10.1021/acs.jmedchem.9b00517 | BMDM | 1 |
Data from ChEMBL 36 via Core Engine