Compound Detail
CHEMBL367291
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Basic Information
| ChEMBL ID | CHEMBL367291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEDQWOLWCMIMAO-NTCAYCPXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.71
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.99 | 5.99 | 1021.0 | 1 |
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 5.93 | 5.93 | 1180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1021.0 | nM | 5.99 | In vitro inhibition of LTB4 induced neutrophil aggregation was determined | - |
| Leukotriene B4 receptor 1 | IC50 | = | 1180.0 | nM | 5.93 | In vitro binding affinity towards LTB4 receptor determined by measuring the disp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00134-0 | Leukotriene B4 receptor 1 | 1 |
| - | 10.1016/S0960-894X(97)00134-0 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine