Compound Detail
CHEMBL5646776
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CCCCC(=O)N(Cc1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5646776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFMXMWCCDHJPNA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.7
MW (Da)
6.24
ALogP
3
HBA
0
HBD
43.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 2 CHEMBL3191 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 2 | IC50 | = | 2.6 | nM | 8.59 | Antagonist activity at human BLT2 expressed in CHO cells assessed as inhibition ... | 37839347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37839347 | 10.1016/j.ejmech.2023.115864 | Leukotriene B4 receptor 2 | 1 |
| 37839347 | 10.1016/j.ejmech.2023.115864 | CHO | 1 |
Data from ChEMBL 36 via Core Engine