Compound Detail
CHEMBL280360
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Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2C[C@](CC(=O)O)(C(=O)O)O[C@H]2[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL280360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSIJXGJOXVPSCW-ADDRTEIISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.3
MW (Da)
-1.25
ALogP
10
HBA
4
HBD
182.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase; PDE3 & PDE4 CHEMBL2095153 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase; PDE3 & PDE4 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of cAMP PDE and cGMP-inhibited PDE from rabbit aorta | 8387599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8387599 | 10.1021/jm00061a012 | Phosphodiesterase; PDE3 & PDE4 | 1 |
| - | 10.1021/np50060a025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine