Compound Detail
CHEMBL476459
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 | CHEMBL476459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCPPVCWHGSQHNK-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
6.27
ALogP
8
HBA
1
HBD
74.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MC3T3-E1 CHEMBL4296463 | EC50 | 7.22 | 7.1067 | 60.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MC3T3-E1 | EC50 | = | 60.0 | nM | 7.22 | Induction of osteogenesis in mouse MC3T3-E1 cells assessed as osteocalcin secret... | 19179072 |
| MC3T3-E1 | EC50 | = | 60.0 | nM | 7.22 | Induction of osteogenesis in mouse MC3T3-E1 cells assessed as increase in osteob... | 20218623 |
| MC3T3-E1 | EC50 | = | 90.0 | nM | 7.05 | Induction of osteogenesis in mouse MC3T3-E1 cells assessed as alkaline phosphata... | 19179072 |
| MC3T3-E1 | EC50 | = | 90.0 | nM | 7.05 | Induction of osteogenesis in mouse MC3T3-E1 cells assessed as calcium level at 2... | 19179072 |
| MC3T3-E1 | EC50 | = | 90.0 | nM | 7.05 | Induction of mineralization in mouse MC3T3-E1 cells assessed as increase in calc... | 20218623 |
| MC3T3-E1 | EC50 | = | 90.0 | nM | 7.05 | Induction of osteogenesis in mouse MC3T3-E1 cells assessed as increase in osteob... | 20218623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19179072 | 10.1016/j.bmcl.2009.01.025 | MC3T3-E1 | 22 |
| 20218623 | 10.1021/jm9018756 | MC3T3-E1 | 6 |
| 19179072 | 10.1016/j.bmcl.2009.01.025 | Molecular identity unknown | 3 |
| 19179072 | 10.1016/j.bmcl.2009.01.025 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine