Compound Detail
CHEMBL5661886
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Basic Information
| ChEMBL ID | CHEMBL5661886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSQBCMWYKOOVLD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
4.56
ALogP
4
HBA
2
HBD
70.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.89 | 7.005 | 13.0 | 2 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13.0 | nM | 7.89 | Inhibition of bovine brain PKC in presence of [p32-gamma]-ATP measured after 10 ... | 1874734 |
| Unchecked | IC50 | = | 750.0 | nM | 6.12 | Inhibition of Phosphorylase kinase in rabbit muscle tissue in presence of [p32-g... | 1874734 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of PKA (unknown origin) | 1874734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1874734 | 10.1016/s0021-9258(18)98476-0 | Unchecked | 2 |
| 1874734 | 10.1016/s0021-9258(18)98476-0 | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine