Compound Detail
CHEMBL526566
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
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NCC(C)(C)C)C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL526566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIOJSKJMCPAOBC-XYWKZLDCSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
3.68
ALogP
6
HBA
3
HBD
112.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.0
IC50 1 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.45 | 6.45 | 352.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | EC50 | = | 0.1 | nM | 10.0 | Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A5... | 18691892 |
| Glucocorticoid receptor | IC50 | = | 352.0 | nM | 6.45 | Inhibition of human glucocorticoid receptor | 18691892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18691892 | 10.1016/j.bmc.2008.07.037 | Interstitial collagenase | 2 |
| 18691892 | 10.1016/j.bmc.2008.07.037 | Tyrosine aminotransferase | 1 |
| 18691892 | 10.1016/j.bmc.2008.07.037 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine