Compound Detail
CHEMBL112904
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Basic Information
| ChEMBL ID | CHEMBL112904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPWOVCCSRKCACI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
252.1
MW (Da)
1.41
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heart phosphodiesterase CHEMBL2111408 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heart phosphodiesterase | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of bovine heart phosphodiesterase | 1527785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1527785 | 10.1021/jm00096a008 | Mus musculus | 3 |
| 1527785 | 10.1021/jm00096a008 | Rattus norvegicus | 2 |
| 1527785 | 10.1021/jm00096a008 | Phosphodiesterase 4 | 1 |
| 1527785 | 10.1021/jm00096a008 | Heart phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine