Compound Detail
CHEMBL3955289
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CCOc1ccc(CC2CCN(c3ccc(C(=O)NO)cc3)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL3955289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVLVRLWNYRGPJE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
3.86
ALogP
8
HBA
3
HBD
125.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 121.0 | nM | 6.92 | Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 express... | 27606546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27606546 | 10.1021/acs.jmedchem.6b00908 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 27606546 | 10.1021/acs.jmedchem.6b00908 | Histone deacetylase 1 | 1 |
| 27606546 | 10.1021/acs.jmedchem.6b00908 | Histone deacetylase 2 | 1 |
| 27606546 | 10.1021/acs.jmedchem.6b00908 | Histone deacetylase 6 | 1 |
| 27606546 | 10.1021/acs.jmedchem.6b00908 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine