Compound Detail
CHEMBL45055
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Basic Information
| ChEMBL ID | CHEMBL45055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYFCFVOGFZPFSU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.94
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
| Phosphodiesterase 4A CHEMBL3333 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4A | IC50 | = | 400.0 | nM | 6.4 | Inhibitory potency against pig aortic PDE IV | 8201604 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 398.11 | nM | 6.4 | Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liq... | 19049349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 4A | 1 |
| 19049349 | 10.1021/jm701635j | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine