Compound Detail
CHEMBL115658
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Basic Information
| ChEMBL ID | CHEMBL115658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYQLHLVAMFCCJH-FYWRMAATSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
5.71
ALogP
5
HBA
2
HBD
96.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Ki 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.3 | 6.035 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | Ki | = | 4.8 | nM | 8.32 | Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement... | 7932560 |
| Homo sapiens | IC50 | = | 500.0 | nM | 6.3 | Concentration of test compound required to inhibit 50% LTB4-induced calcium mobi... | 7932560 |
| Homo sapiens | IC50 | = | 1700.0 | nM | 5.77 | Concentration of test compound required to inhibit 50% LTB4-induced degranulatio... | 7932560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932560 | 10.1021/jm00046a017 | Homo sapiens | 2 |
| 7932560 | 10.1021/jm00046a017 | Leukotriene B4 receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine