Compound Detail
CHEMBL5625140
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COc1ccc(C2=NN(C3CCN(C(=O)N4CCOCC4)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL5625140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTRSYKTUTDYBBR-VQTJNVASSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
487.0
MW (Da)
3.39
ALogP
5
HBA
0
HBD
74.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 7B CHEMBL4716 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.3 | nM | 8.64 | Inhibition of human PDE4 catalytic domain expressed in Escherichia coli | 36796299 |
| 3',5'-cyclic-AMP phosphodiesterase 7B | IC50 | = | 23.0 | nM | 7.64 | Inhibition of PDE7B (unknown origin) by 3H-cAMP scintillation proximity assay | 36796299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36796299 | 10.1016/j.ejmech.2023.115194 | Unchecked | 2 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | 3',5'-cyclic-AMP phosphodiesterase 7B | 1 |
Data from ChEMBL 36 via Core Engine