Compound Detail
CHEMBL4466435
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Basic Information
| ChEMBL ID | CHEMBL4466435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJLYODHJNMBXRK-IBGZPJMESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.48
ALogP
3
HBA
1
HBD
54.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.85 | 6.52 | 140.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.48 | 4.48 | 33340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 140.0 | nM | 6.85 | Inhibition of recombinant human PDE4D (83 to 416 residues) expressed in Escheric... | 33218684 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 650.0 | nM | 6.19 | Inhibition of recombinant human PDE4D catalytic domain using [3H]cAMP as substra... | 31099559 |
| Unchecked | IC50 | = | 33340.0 | nM | 4.48 | Anti-inflammatory activity against human PBMCs assessed as inhibition of LPS-ind... | 33218684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33218684 | 10.1016/j.ejmech.2020.113004 | ADMET | 6 |
| 33218684 | 10.1016/j.ejmech.2020.113004 | RAW264.7 | 2 |
| 31099559 | 10.1021/acs.jmedchem.9b00518 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 33218684 | 10.1016/j.ejmech.2020.113004 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 33218684 | 10.1016/j.ejmech.2020.113004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine