Compound Detail
CHEMBL47376
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O=C1CC(c2nnn[nH]2)Oc2cc(/C=C/c3cccc(OCc4ccc5ccccc5n4)c3)ccc21
Basic Information
| ChEMBL ID | CHEMBL47376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFVXVMKTTLRFSJ-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
5.20
ALogP
7
HBA
1
HBD
102.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 2.5 | nM | 8.6 | Binding affinity against LTD4 receptor in guinea pig lung membranes. | 1851845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1851845 | 10.1021/jm00109a025 | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine