Compound Detail
CHEMBL4473351
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Basic Information
| ChEMBL ID | CHEMBL4473351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZDKUSLJUFFSNB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
1.44
ALogP
7
HBA
1
HBD
85.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BMDM CHEMBL4296525 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BMDM | IC50 | = | 2.0 | nM | 8.7 | 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 | ADMET | 14 |
| 31125222 | 10.1021/acs.jmedchem.9b00517 | BMDM | 7 |
| 31125222 | 10.1021/acs.jmedchem.9b00517 | Rattus norvegicus | 6 |
| 31125222 | 10.1021/acs.jmedchem.9b00517 | C3H 10T1/2 | 2 |
Data from ChEMBL 36 via Core Engine