Compound Detail
CHEMBL338684
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COc1ccc(C(=O)N[C@@H]2N=C(c3ccccc3)c3cc(C)cc4c3N(CC4)C2=O)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL338684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXRVXQTXAUPJIM-VWLOTQADSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
3.51
ALogP
5
HBA
1
HBD
80.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 5.11 | 5.11 | 7850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 960.0 | nM | 6.02 | Inhibition of phosphodiesterase 4 extracted from human U937 cells by using radio... | 10636238 |
| Phosphodiesterase 3 | IC50 | = | 7850.0 | nM | 5.11 | Inhibition of Phosphodiesterase 3 extracted from dog aorta smooth muscle cells b... | 10636238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase 4 | 2 |
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase 3 | 1 |
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase, PDE1/PDE5 | 1 |
Data from ChEMBL 36 via Core Engine