Compound Detail
CHEMBL446199
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Basic Information
| ChEMBL ID | CHEMBL446199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKLVUAHQOFDKLR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
2.99
ALogP
5
HBA
3
HBD
82.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.28 | 6.26 | 52.0 | 2 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | IC50 | 5.7 | 5.7 | 2020.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 52.0 | nM | 7.28 | Inhibition of bovine brain PKC in presence of [p32-gamma]-ATP measured after 10 ... | 1874734 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | IC50 | = | 2020.0 | nM | 5.7 | Inhibition of CaMK2delta | 18334295 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of PKA (unknown origin) | 1874734 |
| Unchecked | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of Phosphorylase kinase in rabbit muscle tissue in presence of [p32-g... | 1874734 |
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