Compound Detail
CHEMBL557059
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Basic Information
| ChEMBL ID | CHEMBL557059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTAYVRNLCIPSRV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
4.76
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.57 | 8.57 | 2.7 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.41 | 6.225 | 390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 2.7 | nM | 8.57 | Inhibition of PDE5 | 19540112 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 2.692 | nM | 8.57 | Inhibition of PDE5 (unknown origin) | - |
| Unchecked | IC50 | = | 390.0 | nM | 6.41 | Inhibition of PDE11 | 19540112 |
| Unchecked | IC50 | = | 910.0 | nM | 6.04 | Inhibition of PDE6 | 19540112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19540112 | 10.1016/j.bmcl.2009.06.012 | Unchecked | 2 |
| 19540112 | 10.1016/j.bmcl.2009.06.012 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| - | 10.1007/s00044-010-9523-y | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine