Compound Detail
CHEMBL95979
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Basic Information
| ChEMBL ID | CHEMBL95979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUAYSZSGTRYVOR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
5.98
ALogP
8
HBA
1
HBD
82.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL3382 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 1300.0 | nM | 5.89 | Evaluated for its ability to inhibit PDE4B. | 9873643 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 3000.0 | nM | 5.52 | Evaluated for its ability to inhibit PDE4D. | 9873643 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 5400.0 | nM | 5.27 | Evaluated for its ability to inhibit PDE4A. | 9873643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873643 | 10.1016/s0960-894x(98)00508-3 | Phosphodiesterase 3 | 1 |
| 9873643 | 10.1016/s0960-894x(98)00508-3 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 9873643 | 10.1016/s0960-894x(98)00508-3 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 9873643 | 10.1016/s0960-894x(98)00508-3 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine