Compound Detail
CHEMBL3234210
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[C@]1(C)CC[C@]2(C)[C@H](CC[C@H]3[C@@](C)(CO)C(=O)C=C[C@]32O)C1
Basic Information
| ChEMBL ID | CHEMBL3234210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMNRNXPOMWACEA-NPYRMBCDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
3.26
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.72 | 4.72 | 19020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 19020.0 | nM | 4.72 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 24660966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24660966 | 10.1021/np400873v | RAW264.7 | 2 |
| 26702644 | 10.1021/acs.jnatprod.5b00789 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine