Compound Detail
CHEMBL183726
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Basic Information
| ChEMBL ID | CHEMBL183726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFOSHOZHPJLOCF-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
3.01
ALogP
12
HBA
2
HBD
141.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.05 | 6.015 | 90.0 | 4 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.63 | 4.63 | 23300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 90.0 | nM | 7.05 | Inhibition of Phosphodiesterase 7 | 15780616 |
| Unchecked | IC50 | = | 270.0 | nM | 6.57 | Inhibition of Phosphodiesterase 4 | 15780616 |
| Unchecked | IC50 | = | 720.0 | nM | 6.14 | Inhibition of Phosphodiesterase 5 | 15780616 |
| Phosphodiesterase 3 | IC50 | = | 23300.0 | nM | 4.63 | Inhibition of Phosphodiesterase 3 | 15780616 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Phosphodiesterase 1 | 15780616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780616 | 10.1016/j.bmcl.2005.02.025 | Unchecked | 9 |
| 15780616 | 10.1016/j.bmcl.2005.02.025 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 15780616 | 10.1016/j.bmcl.2005.02.025 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine