Compound Detail
CHEMBL136805
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL136805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKGWKDJMXSSHLI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
5.57
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 8.0 | 7.425 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor in the guinea pig sple... | 1333011 |
| Leukotriene B4 receptor 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor in the human polymorph... | 1333011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1333011 | 10.1021/jm00101a007 | Leukotriene B4 receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine