Compound Detail
CHEMBL169835
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CCCc1c(OCCCOc2ccc(-c3csc(OC)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2
Basic Information
| ChEMBL ID | CHEMBL169835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKXKEQQNXAOFDZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
6.36
ALogP
8
HBA
1
HBD
96.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 1150.0 | nM | 5.94 | Binding affinity for Leukotriene B4 (LTB4) receptor | 7699700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699700 | 10.1021/jm00006a002 | Leukotriene B4 receptor 1 | 1 |
| 7699700 | 10.1021/jm00006a002 | Leukotriene B4 receptor | 1 |
Data from ChEMBL 36 via Core Engine