Compound Detail
CHEMBL4743650
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C=C1O[C@@H]2[C@@H](OC(C)=O)C3=C(C)C(=O)OC3=C[C@@]2(C)[C@@H]2C[C@H]12
Basic Information
| ChEMBL ID | CHEMBL4743650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBJAPGXWLUJBPF-IYPIUBDMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
2.24
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL5314326 | IC50 | 5.13 | 5.13 | 7450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 7450.0 | nM | 5.13 | Antiinflammatory activity in human neutrophils assessed as inhibition of fMLF/cy... | 32359855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32359855 | 10.1016/j.bmcl.2020.127224 | Neutrophil | 2 |
Data from ChEMBL 36 via Core Engine