Compound Detail
CHEMBL4559591
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Basic Information
| ChEMBL ID | CHEMBL4559591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSZUQOYAJCLMJO-SNAWJCMRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
1.20
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of M-CSF/RANKL-induced osteoclast differentiation in C57BL/6 mouse bo... | 31257875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31257875 | 10.1021/acs.jmedchem.9b00270 | MC3T3-E1 | 2 |
| 31257875 | 10.1021/acs.jmedchem.9b00270 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine