Compound Detail
CHEMBL2414319
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CCCOc1ccc(NC2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL2414319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOBGVDGBLMSEKY-QAGZSRQJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.4
MW (Da)
1.32
ALogP
9
HBA
6
HBD
157.2
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.76 | 7.76 | 17.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 17.4 | nM | 7.76 | Inhibition of PDE5 (unknown origin) | 23867165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23867165 | 10.1016/j.bmcl.2013.06.062 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine