Compound Detail
CHEMBL4441100
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Basic Information
| ChEMBL ID | CHEMBL4441100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRYHQHQYWZTVFO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
5.94
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 65.0 | nM | 7.19 | Inhibition of bovine aortic smooth muscle PDE5 using cGMP as substrate incubated... | 31158744 |
| Unchecked | IC50 | = | 320.0 | nM | 6.5 | Inhibition of bovine aortic smooth muscle PDE4 at 10 uM using cAMP as substrate ... | 31158744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31158744 | 10.1016/j.ejmech.2019.05.026 | Unchecked | 4 |
| 31158744 | 10.1016/j.ejmech.2019.05.026 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 31158744 | 10.1016/j.ejmech.2019.05.026 | No relevant target | 2 |
| 31158744 | 10.1016/j.ejmech.2019.05.026 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 31158744 | 10.1016/j.ejmech.2019.05.026 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine