Compound Detail
CHEMBL317000
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Basic Information
| ChEMBL ID | CHEMBL317000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNNFUOQPVNQPFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
3.23
ALogP
2
HBA
2
HBD
29.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bos taurus CHEMBL613489 | IC50 | 4.74 | 4.74 | 18200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bos taurus | IC50 | = | 18200.0 | nM | 4.74 | In vitro ability to inhibit cartilage breakdown by using 1L-1beta stimulated bov... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80782-4 | Bos taurus | 1 |
Data from ChEMBL 36 via Core Engine