Compound Detail
CHEMBL174270
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Basic Information
| ChEMBL ID | CHEMBL174270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKMMERLAIZECBD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
385.0
MW (Da)
2.60
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 1 | IC50 | = | 910.0 | nM | 6.04 | In vitro inhibition of phosphodiesterase (PDE I). | - |
| Phosphodiesterase 3 | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibition of phosphodiesterase (PDE III). | - |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 12100.0 | nM | 4.92 | In vitro inhibition of phosphodiesterase (PDE V). | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00578-1 | Unchecked | 2 |
| - | 10.1016/S0960-894X(96)00578-1 | Phosphodiesterase 1 | 1 |
| - | 10.1016/S0960-894X(96)00578-1 | Phosphodiesterase 3 | 1 |
| - | 10.1016/S0960-894X(96)00578-1 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine