Compound Detail
CHEMBL4436026
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C=C1C[C@@H]2[C@](C)(CC[C@H]3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@@](C)(CO)CC[C@]4(C)CC[C@]32C)[C@@H](C)C1=O
Basic Information
| ChEMBL ID | CHEMBL4436026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDSZFYKLCXAYMY-FYNQRPAKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.7
MW (Da)
7.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.59 | 4.59 | 25400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 25400.0 | nM | 4.59 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 31255927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31255927 | 10.1016/j.ejmech.2019.06.034 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine