Compound Detail
CHEMBL4758226
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Basic Information
| ChEMBL ID | CHEMBL4758226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUMPWCPPOLSIOL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.04
ALogP
7
HBA
0
HBD
71.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | IC50 | 6.42 | 6.42 | 383.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 5.67 | 5.67 | 2165.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 175.0 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | IC50 | = | 383.0 | nM | 6.42 | Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T c... | 32902984 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 2165.0 | nM | 5.67 | Inhibition of recombinant human PDE4A overexpressed in HEK293 cells assessed as ... | 32902984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32902984 | 10.1021/acs.jmedchem.0c00272 | G-protein coupled receptor 84 | 1 |
| 32902984 | 10.1021/acs.jmedchem.0c00272 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 32902984 | 10.1021/acs.jmedchem.0c00272 | No relevant target | 1 |
| 32902984 | 10.1021/acs.jmedchem.0c00272 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine