Compound Detail
CHEMBL5625119
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
COc1cc(CN(Cc2ccc(OC)cc2OC)c2ncnc3c2nnn3C2CC(C(F)(F)F)CCC2(F)F)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL5625119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USNSMKHTZPKATD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
622.6
MW (Da)
6.00
ALogP
10
HBA
0
HBD
96.7
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 11900.0 | nM | 4.92 | Inhibition of PDE4 (unknown origin) by fluorescent based assay | 36796299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 7 | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine