Compound Detail
CHEMBL419509
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@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C(O)=C[C@@]43C)[C@@H]1CC[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL419509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXOCQHSDSBZRBQ-GINZOMEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.32
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 3000.0 | nM | 5.52 | Compound was evaluated for inhibition of Interleukin (IL1-beta) release in human... | 9873630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873630 | 10.1016/s0960-894x(98)00521-6 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine