Compound Detail
CHEMBL95453
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Basic Information
| ChEMBL ID | CHEMBL95453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMERKKYZMWDBEP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
554.7
MW (Da)
6.44
ALogP
6
HBA
2
HBD
119.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Leukotriene B4 receptor 1 CHEMBL3911 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | Ki | = | 1.0 | nM | 9.0 | Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement... | 7932560 |
| Leukotriene B4 receptor | Ki | = | 1.0 | nM | 9.0 | Inhibition of leukotriene B4 (LTB4) binding to its receptor on intact human neut... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80833-7 | Leukotriene B4 receptor | 2 |
| 7932560 | 10.1021/jm00046a017 | Leukotriene B4 receptor 1 | 1 |
| - | 10.1016/S0960-894X(01)80833-7 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine