Compound Detail
CHEMBL193428
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Basic Information
| ChEMBL ID | CHEMBL193428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHUOUDPXEIPOQQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
4.26
ALogP
7
HBA
1
HBD
102.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 6 CHEMBL2096979 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 6 | IC50 | = | 63.0 | nM | 7.2 | Inhibition of bovine Phosphodiesterase 6 (n=2-3) | 15837329 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 90.0 | nM | 7.05 | 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