Compound Detail
CHEMBL3717453
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Basic Information
| ChEMBL ID | CHEMBL3717453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUXJSJPUEFPUAX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
1.38
ALogP
7
HBA
1
HBD
82.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | IC50 | 11.0 | 9.0 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | IC50 | = | 0.01 | nM | 11.0 | Antagonist activity against GPR84 in human buffy coat neutrophils assessed as re... | - |
| G-protein coupled receptor 84 | IC50 | = | 101.0 | nM | 7.0 | Antagonist activity against GPR84 (unknown origin) expressed in cell membranes i... | - |
Data from ChEMBL 36 via Core Engine