Compound Detail
CHEMBL247073
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COc1ccc(N2CC(=O)N3[C@H](c4ccc5c(c4)OCO5)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL247073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRXWLWNUSHLDTI-AJTFRIOCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
3.79
ALogP
5
HBA
1
HBD
84.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 16.0 | nM | 7.8 | Inhibition of bovine PDE5 after 24 hrs by HTRF | 17107795 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 16.0 | nM | 7.8 | Inhibition of PDE5 (unknown origin) | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17107795 | 10.1016/j.bmcl.2006.10.069 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 21504142 | 10.1021/jm1014617 | Plasmodium falciparum | 1 |
| 21504142 | 10.1021/jm1014617 | MRC5 | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine