Compound Detail
CHEMBL41950
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Basic Information
| ChEMBL ID | CHEMBL41950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXAGNOMNFKSMBE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
438.8
MW (Da)
5.70
ALogP
5
HBA
1
HBD
60.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Phosphodiesterase 6 CHEMBL2097163 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of phosphodiesterase 5 from human platelets | 15006407 |
| Phosphodiesterase 6 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of phosphodiesterase 6 | 15006407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15006407 | 10.1016/j.bmcl.2003.12.090 | Unchecked | 5 |
| 15006407 | 10.1016/j.bmcl.2003.12.090 | Phosphodiesterase 3 and 5 (PDE3 and PDE5) | 1 |
| 15006407 | 10.1016/j.bmcl.2003.12.090 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 15006407 | 10.1016/j.bmcl.2003.12.090 | Phosphodiesterase 6 | 1 |
| 15006407 | 10.1016/j.bmcl.2003.12.090 | Phosphodiesterase 1 | 1 |
| 15006407 | 10.1016/j.bmcl.2003.12.090 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 15006407 | 10.1016/j.bmcl.2003.12.090 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine