Compound Detail
CHEMBL82318
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Basic Information
| ChEMBL ID | CHEMBL82318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKTDYBBFKUXEOZ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
2.34
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.4 | 6.4 | 398.1 | 2 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.28 | 6.28 | 520.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 398.11 | nM | 6.4 | Inhibitory concentration against phosphodiesterase 4 (PDE4) in cytosol of human ... | 12036360 |
| Phosphodiesterase 4 | IC50 | = | 398.11 | nM | 6.4 | Inhibitory activity against phosphodiesterase 4 carried out in the cytosol of hu... | 12036361 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 520.0 | nM | 6.28 | Inhibition of human recombinant PDE4B2-mediated cAMP hydrolysis for 30 mins by c... | 22297114 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 520.0 | nM | 6.28 | Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis p... | 23375225 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 520.0 | nM | 6.28 | Inhibition of human recombinant PDE4B2 assessed as inhibition of cAMP hydrolysis... | 24300734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036360 | 10.1021/jm0110340 | Phosphodiesterase 4 | 1 |
| 12036360 | 10.1021/jm0110340 | Mus musculus | 1 |
| 12036361 | 10.1021/jm0110338 | Phosphodiesterase 4 | 1 |
| 22297114 | 10.1016/j.bmcl.2012.01.013 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 23375225 | 10.1016/j.bmcl.2012.11.058 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 24300734 | 10.1016/j.bmcl.2013.11.028 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine