Compound Detail
CHEMBL5531992
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Basic Information
| ChEMBL ID | CHEMBL5531992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUTHUMGFKPEVCC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
2.47
ALogP
2
HBA
1
HBD
45.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sclerostin CHEMBL3580487 | Kd | 6.63 | 6.1933 | 233.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sclerostin | Kd | = | 233.7 | nM | 6.63 | Binding affinity to SOST (unknown origin) by SPR analysis | 38677061 |
| Sclerostin | Kd | = | 960.0 | nM | 6.02 | Binding affinity to SOST loop2 (unknown origin) by SPR analysis | 38677061 |
| Sclerostin | Kd | = | 1180.0 | nM | 5.93 | Binding affinity to SOST loop3 (unknown origin) by SPR analysis | 38677061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38677061 | 10.1016/j.ejmech.2024.116414 | Sclerostin | 3 |
Data from ChEMBL 36 via Core Engine