Compound Detail
CHEMBL3342057
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=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL3342057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYUUJQUMSQBUIN-YKEAIUOESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.7
MW (Da)
5.98
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.58 | 4.58 | 26100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 26100.0 | nM | 4.58 | Anti-inflammatory activity in mouse RAW264.7 cells assessed as inhibition of lip... | 25245917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25245917 | 10.1021/np500509q | RAW264.7 | 2 |
| 26978121 | 10.1016/j.ejmech.2015.12.002 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine