Compound Detail
CHEMBL174638
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Basic Information
| ChEMBL ID | CHEMBL174638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAOTYDHRZSVJOB-XNTDXEJSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
5.10
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.76 | 6.76 | 173.0 | 1 |
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 173.0 | nM | 6.76 | In vitro inhibition of LTB4 induced neutrophil aggregation was determined | - |
| Leukotriene B4 receptor 1 | IC50 | = | 190.0 | nM | 6.72 | 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