Compound Detail
CHEMBL5074637
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COc1ccc(Cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5074637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUJGQDYRNYTUFA-OUUBHVDSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
0.46
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C2C12 CHEMBL612655 | EC50 | 4.9 | 4.83 | 12700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C2C12 | EC50 | = | 12700.0 | nM | 4.9 | Angiogenic activity in mouse C2C12 cells assessed as reversal of hyperglycemia-i... | 34939794 |
| C2C12 | EC50 | = | 17320.0 | nM | 4.76 | Angiogenic activity in mouse C2C12 cells assessed as reversal of hyperglycemia-i... | 34939794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34939794 | 10.1021/acs.jmedchem.1c00947 | Unchecked | 30 |
| 34939794 | 10.1021/acs.jmedchem.1c00947 | C2C12 | 30 |
| 34939794 | 10.1021/acs.jmedchem.1c00947 | Mus musculus | 14 |
| 34939794 | 10.1021/acs.jmedchem.1c00947 | ADMET | 12 |
| 34939794 | 10.1021/acs.jmedchem.1c00947 | MOVAS-1 | 7 |
| 34939794 | 10.1021/acs.jmedchem.1c00947 | HUVEC | 7 |
| 34939794 | 10.1021/acs.jmedchem.1c00947 | No relevant target | 3 |
| 34939794 | 10.1021/acs.jmedchem.1c00947 | Hypoxia-inducible factor 1-alpha | 2 |
Data from ChEMBL 36 via Core Engine