Compound Detail
CHEMBL362152
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Basic Information
| ChEMBL ID | CHEMBL362152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUDADGVGCUIJPK-VLGSPTGOSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
1.45
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.72 | 5.525 | 190.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 66.9 | mL.min-1.kg-1 | - |
| F | 7.0 | % | Eutheria |
| T1/2 | 0.27 | hr | - |
| Vd | 0.98 | L.kg-1 | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human Phosphodiesterase 7A1 or human phosphodiesterase 4D3 express... | 15324875 |
| Unchecked | IC50 | = | 46330.0 | nM | 4.33 | Inhibition of human Phosphodiesterase 7A1 or human phosphodiesterase 4D3 express... | 15324875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324875 | 10.1016/j.bmcl.2004.07.009 | ADMET | 5 |
| 15324875 | 10.1016/j.bmcl.2004.07.009 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine