Compound Detail
CHEMBL314667
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Basic Information
| ChEMBL ID | CHEMBL314667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LABTVQUPSPQYOL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.53
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| Phosphodiesterase 6 CHEMBL2096979 | IC50 | 6.67 | 6.67 | 214.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 77.0 | nM | 7.11 | Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) | 12182866 |
| Phosphodiesterase 6 | IC50 | = | 214.0 | nM | 6.67 | Inhibitory concentration against bovine retina phosphodiesterase 6 activity | 12182866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182866 | 10.1016/s0960-894x(02)00480-8 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 12182866 | 10.1016/s0960-894x(02)00480-8 | Phosphodiesterase 6 | 1 |
| 12182866 | 10.1016/s0960-894x(02)00480-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine