Compound Detail
CHEMBL2385756
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Basic Information
| ChEMBL ID | CHEMBL2385756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTZYWJBULLPCBI-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
4.07
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.66 | 7.41 | 22.0 | 2 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.75 | 6.665 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 13.0 | nM | 7.89 | Antiinflammatory activity in Balb/c mouse splenocytes assessed as LPS-induced TN... | 23602400 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human recombinant PDE4B (152 to 564 amino acids) using cAMP as sub... | 23602400 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 70.0 | nM | 7.16 | Inhibition of full-length human PDE4B2 assessed as cAMP hydrolysis preincubated ... | 24412069 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 180.0 | nM | 6.75 | Inhibition of full-length human PDE4D2 assessed as cAMP hydrolysis preincubated ... | 24412069 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 260.0 | nM | 6.58 | Inhibition of recombinant human PDE4D (78 to 508) | 24412069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24412069 | 10.1016/j.bmcl.2013.12.076 | Unchecked | 2 |
| 24412069 | 10.1016/j.bmcl.2013.12.076 | 3',5'-cyclic-AMP phosphodiesterase 4D | 2 |
| 23602400 | 10.1016/j.bmcl.2013.03.104 | Mus musculus | 1 |
| 23602400 | 10.1016/j.bmcl.2013.03.104 | NON-PROTEIN TARGET | 1 |
| 23602400 | 10.1016/j.bmcl.2013.03.104 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 24412069 | 10.1016/j.bmcl.2013.12.076 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine