Compound Detail
CHEMBL5558704
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5558704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTLBAPHVEQSKNE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
-0.01
ALogP
3
HBA
3
HBD
95.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sclerostin CHEMBL3580487 | Kd | 7.81 | 7.76 | 15.4 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 59.16 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 0.00581 | ug.mL-1 | Rattus norvegicus |
| T1/2 | 1.94 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sclerostin | Kd | = | 15.4 | nM | 7.81 | Binding affinity to SOST loop3 (unknown origin) by SPR analysis | 38677061 |
| Sclerostin | Kd | = | 19.6 | nM | 7.71 | Binding affinity to SOST (unknown origin) by SPR analysis | 38677061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38677061 | 10.1016/j.ejmech.2024.116414 | Sclerostin | 6 |
| 38677061 | 10.1016/j.ejmech.2024.116414 | ADMET | 3 |
| 38677061 | 10.1016/j.ejmech.2024.116414 | Albumin | 1 |
| 38677061 | 10.1016/j.ejmech.2024.116414 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine