Compound Detail
CHEMBL4760776
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Basic Information
| ChEMBL ID | CHEMBL4760776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYSFZDOQCLRCAP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.60
ALogP
7
HBA
0
HBD
75.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 5.96 | 5.96 | 1088.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 101.67 | 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 | = | 350.0 | nM | 6.46 | Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T c... | 32902984 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 1088.0 | nM | 5.96 | 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