Compound Detail
CHEMBL4744412
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(C(=O)NC5CCC(O)CC5)cs4)c3c2c1
Basic Information
| ChEMBL ID | CHEMBL4744412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDTASANPSWVRRB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
551.6
MW (Da)
4.72
ALogP
8
HBA
3
HBD
130.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.74 | 7.74 | 18.4 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.5 | 7.5 | 31.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 18.4 | nM | 7.74 | Inhibition of PDE-4 in human PBMC assessed as LPS-induced TNFalpha production in... | 27713015 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 31.4 | nM | 7.5 | Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins follo... | 27713015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27713015 | 10.1016/j.bmc.2016.09.011 | 3',5'-cyclic-AMP phosphodiesterase 4B | 3 |
| 27713015 | 10.1016/j.bmc.2016.09.011 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine