Compound Detail
CHEMBL1097781
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Basic Information
| ChEMBL ID | CHEMBL1097781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYPDWDBQCMHXIP-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
2.67
ALogP
9
HBA
2
HBD
93.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.2 | nM | 8.92 | Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scint... | 20443228 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20443228 | 10.1016/j.bmcl.2010.03.111 | Unchecked | 2 |
| 20443228 | 10.1016/j.bmcl.2010.03.111 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 20443228 | 10.1016/j.bmcl.2010.03.111 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine