Compound Detail
CHEMBL455364
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O=c1c2cc(O)c(O)cc2oc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
Basic Information
| ChEMBL ID | CHEMBL455364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXKFRRCKZWJXBW-GPRNFGOXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.3
MW (Da)
-1.05
ALogP
12
HBA
8
HBD
210.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sclerostin CHEMBL3580487 | Kd | 6.67 | 6.47 | 211.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sclerostin | Kd | = | 211.2 | nM | 6.67 | Binding affinity to SOST (unknown origin) by SPR analysis | 38677061 |
| Sclerostin | Kd | = | 531.9 | nM | 6.27 | Binding affinity to SOST loop2 (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