Compound Detail
CHEMBL2442465
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Basic Information
| ChEMBL ID | CHEMBL2442465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWFJMYWBVGCGQQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
3.49
ALogP
5
HBA
3
HBD
96.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Splenocyte CHEMBL612422 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Splenocyte | IC50 | = | 0.21 | nM | 9.68 | Inhibition of LPS-induced TNFalpha production in Balb/c mouse splenocytes after ... | 24094436 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 7.3 | nM | 8.14 | Inhibition of recombinant human PDE4B using cAMP as substrate after 30 mins | 24094436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24094436 | 10.1016/j.bmc.2013.09.013 | Mus musculus | 1 |
| 24094436 | 10.1016/j.bmc.2013.09.013 | Splenocyte | 1 |
| 24094436 | 10.1016/j.bmc.2013.09.013 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine