Compound Detail
CHEMBL3605513
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Basic Information
| ChEMBL ID | CHEMBL3605513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVPKWXCIRUILCW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
3.01
ALogP
5
HBA
0
HBD
62.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 66.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human PDE4D | 26288344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26288344 | 10.1021/acs.jmedchem.5b00902 | Rattus norvegicus | 3 |
| 26288344 | 10.1021/acs.jmedchem.5b00902 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine