Compound Detail
CHEMBL193746
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CCC(C)c1nc2c(=O)n(Cc3cccc(OP(=O)(O)O)c3)nc(C)c2c2cc(-c3ccccc3)nn12
Basic Information
| ChEMBL ID | CHEMBL193746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJAFFWBKYUSVOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
519.5
MW (Da)
4.45
ALogP
8
HBA
2
HBD
131.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 59.0 | nM | 7.23 | 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