Compound Detail
CHEMBL4544243
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4544243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVEYRZKCFLDNIU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.8
MW (Da)
3.53
ALogP
5
HBA
2
HBD
93.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.3 | 7.495 | 5.0 | 2 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant human His6-tagged PDE4D7 UCR1 S129D mutant expressed i... | 31013090 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 48.0 | nM | 7.32 | Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed i... | 31013090 |
| Unchecked | IC50 | = | 203.0 | nM | 6.69 | Inhibition of recombinant human wild-type His6-tagged PDE4D7 UCR1 domain (S129 r... | 31013090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31013090 | 10.1021/acs.jmedchem.9b00193 | Unchecked | 4 |
| 31013090 | 10.1021/acs.jmedchem.9b00193 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine