Compound Detail
CHEMBL5629944
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Basic Information
| ChEMBL ID | CHEMBL5629944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTPBHYIYWZNATF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.69
ALogP
4
HBA
0
HBD
34.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 7 CHEMBL2111411 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 7 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of full length PDE7 (unknown origin) using FAM-cAMP as substrate by f... | 36796299 |
| Phosphodiesterase 4 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of PDE4 (unknown origin) by fluorescent based assay | 36796299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 7 | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine