Compound Detail
CHEMBL25627
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CO[C@]1(c2cnc(S(=O)(=O)c3ccc(/C(C)=N/OCC#N)cc3)s2)CCO[C@@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL25627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZRUXRNNERHBIV-MLLBMZPXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
3.28
ALogP
9
HBA
0
HBD
110.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 140.0 | nM | 6.85 | 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 |
Data from ChEMBL 36 via Core Engine