Compound Detail
CHEMBL458298
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 | CHEMBL458298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXURVUHDDXFYDR-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
3.68
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.92 | 7.7467 | 12.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 12.0 | nM | 7.92 | Inhibition of PDE4D2 (1 to 507 residues) (unknown origin) by liquid scintillatio... | 32255344 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 18.2 | nM | 7.74 | Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liq... | 19049349 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of PDE4B2B (152 to 528 residues) (unknown origin) by liquid scintilla... | 32255344 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 26.0 | nM | 7.58 | Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liq... | 19049349 |
| PBMC | IC50 | = | 40.0 | nM | 7.4 | Inhibition of LPS-induced TNFalpha production in human PBMC | 19049349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19049349 | 10.1021/jm701635j | Unchecked | 4 |
| 19049349 | 10.1021/jm701635j | 3',5'-cyclic-AMP phosphodiesterase 4D | 2 |
| 19049349 | 10.1021/jm701635j | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 19049349 | 10.1021/jm701635j | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 19049349 | 10.1021/jm701635j | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 19049349 | 10.1021/jm701635j | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 19049349 | 10.1021/jm701635j | PBMC | 1 |
| 32255344 | 10.1021/acs.jmedchem.9b02170 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 32255344 | 10.1021/acs.jmedchem.9b02170 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine