Compound Detail
CHEMBL3676231
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Basic Information
| ChEMBL ID | CHEMBL3676231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLKIKTJQVCVTJG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
3.74
ALogP
6
HBA
0
HBD
69.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of PDE4 (unknown origin) | 33054196 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 2.0 | nM | 8.7 | Binding Assay: Human recombinant PDE4 (Gene bank accession no NM006203) was incu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33054196 | 10.1021/acs.jmedchem.0c00797 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine