Compound Detail
CHEMBL1079724
HYDROXYLINDESTENOLIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1079724 |
| Name | HYDROXYLINDESTENOLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCKDXTZTXHTKQP-BDHHQKMPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.34
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.37
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.37 | 4.37 | 42400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3900.0 | nM | 5.41 | Antiinflammatory activity in C57BL6/J mouse BV2 cells assessed as inhibition of ... | 26110443 |
| HepG2 | EC50 | = | 42400.0 | nM | 4.37 | Hepatoprotective activity in human HepG2 cells assessed as inhibition of H2O2- i... | 19639966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26110443 | 10.1021/np500951s | NON-PROTEIN TARGET | 2 |
| 19639966 | 10.1021/np900354q | HepG2 | 1 |
| 26110443 | 10.1021/np500951s | Mus musculus | 1 |
| 26110443 | 10.1021/np500951s | Coxsackievirus B3 | 1 |
Data from ChEMBL 36 via Core Engine