Compound Detail
CHEMBL1911134
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C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](OC)CC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL1911134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVGBVLQEASLHGO-PIALLGAOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
1.67
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 1500.0 | nM | 5.82 | Antiinflammatory action in mouse RAW264.7 cells assessed as inhibition of LPS-in... | 21894898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21894898 | 10.1021/np200319x | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine