Compound Detail
CHEMBL2414316
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Basic Information
| ChEMBL ID | CHEMBL2414316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABPWYKOHDNIBTQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
3.48
ALogP
5
HBA
2
HBD
101.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Phosphodiesterase 6 CHEMBL2097163 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.7 | nM | 8.77 | Inhibition of PDE5 (unknown origin) | 23867165 |
| Phosphodiesterase 6 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of PDE6 (unknown origin) | 23867165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23867165 | 10.1016/j.bmcl.2013.06.062 | Unchecked | 1 |
| 23867165 | 10.1016/j.bmcl.2013.06.062 | Phosphodiesterase 6 | 1 |
| 23867165 | 10.1016/j.bmcl.2013.06.062 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine