Compound Detail
CHEMBL363638
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Cc1nn(Cc2cccc(OP(=O)(O)O)c2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12
Basic Information
| ChEMBL ID | CHEMBL363638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMDXSXGPYSEANZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.4
MW (Da)
3.24
ALogP
8
HBA
2
HBD
131.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 230.0 | nM | 6.64 | Inhibition of human Phosphodiesterase 5 (n=2-3) | 15837329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15837329 | 10.1016/j.bmcl.2005.02.090 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 15837329 | 10.1016/j.bmcl.2005.02.090 | Phosphodiesterase 6 | 1 |
Data from ChEMBL 36 via Core Engine