Compound Detail
CHEMBL273899
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CCOCCn1c(COc2cccc(/C=C/C(=O)c3cc(Cl)cc(C(=O)O)c3O)c2)nc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL273899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOULVCBYKKOGRB-ZHACJKMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
5.61
ALogP
7
HBA
2
HBD
110.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | Kd | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | Kd | = | 10500.0 | nM | 4.98 | Displacement of [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lu... | 9089329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9089329 | 10.1021/jm960628d | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine