Compound Detail
CHEMBL282308
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CO[C@]1(c2cc(F)cc(S(=O)(=O)c3ccc(/C(C)=N/O)cc3)c2)CCO[C@@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL282308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSQAIMVMFDHJJL-QJLXOANVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.90
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 20.0 | nM | 7.7 | In vitro inhibitory activity against LTB4 synthesis in A-23187 stimulated human ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00578-H | Homo sapiens | 1 |
| - | 10.1016/0960-894X(95)00578-H | Rattus norvegicus | 1 |
| - | 10.1016/0960-894X(95)00578-H | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine