Compound Detail
CHEMBL503012
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
CCOc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OCC
Basic Information
| ChEMBL ID | CHEMBL503012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEZADIAHVKNQKD-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
574.6
MW (Da)
5.44
ALogP
9
HBA
2
HBD
119.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.89 | 8.89 | 0.1 | 3 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 7B CHEMBL4716 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.13 | nM | 9.89 | Inhibition of PDE4 | 18686943 |
| Unchecked | IC50 | = | 0.13 | nM | 9.89 | Inhibition of guinea pig PDE4 using [3H]cAMP as substrate after 30 mins | 29407965 |
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human PDE4 catalytic domain expressed in Escherichia coli | 36796299 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human recombinant FLAG-tagged PDE7A expressed in African green mon... | 29407965 |
| 3',5'-cyclic-AMP phosphodiesterase 7B | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of PDE7B (unknown origin) by 3H-cAMP scintillation proximity assay | 36796299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18686943 | 10.1021/jm800582j | Unchecked | 2 |
| 18686943 | 10.1021/jm800582j | Cavia porcellus | 2 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | Unchecked | 2 |
| 29407965 | 10.1016/j.ejmech.2018.01.068 | Unchecked | 1 |
| 29407965 | 10.1016/j.ejmech.2018.01.068 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | 3',5'-cyclic-AMP phosphodiesterase 7B | 1 |
Data from ChEMBL 36 via Core Engine