Compound Detail
CHEMBL328500
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CC(=O)Oc1cc2c(c(C)c1OC(C)=O)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1C=C2
Basic Information
| ChEMBL ID | CHEMBL328500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCNXKESJZZSGKC-OHRHNVSXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.71
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 150.0 | nM | 6.82 | 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