Compound Detail
CHEMBL403771
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Basic Information
| ChEMBL ID | CHEMBL403771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZUIMWOIRBMAOH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.22
ALogP
4
HBA
3
HBD
78.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.3 | 7.35 | 5.0 | 2 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | IC50 | 5.84 | 5.84 | 1450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Inhibition of bovine brain PKC in presence of [p32-gamma]-ATP measured after 10 ... | 1874734 |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of Phosphorylase kinase in rabbit muscle tissue in presence of [p32-g... | 1874734 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of PKA (unknown origin) | 1874734 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | IC50 | = | 1450.0 | nM | 5.84 | Inhibition of CaMK2delta | 18334295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1874734 | 10.1016/s0021-9258(18)98476-0 | Unchecked | 2 |
| 18334295 | 10.1016/j.bmcl.2008.02.058 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 1874734 | 10.1016/s0021-9258(18)98476-0 | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine