Compound Detail
CHEMBL227381
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Basic Information
| ChEMBL ID | CHEMBL227381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUHWQSZMVMMRLM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.9
MW (Da)
2.97
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) | IC50 | = | 170.0 | nM | 6.77 | Inhibition of PKA by radiometric filter binding assay | 17451235 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 260.0 | nM | 6.58 | Inhibition of PKBbeta by radiometric filter binding assay | 17451235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17451235 | 10.1021/jm0700924 | RAC-beta serine/threonine-protein kinase | 1 |
| 17451235 | 10.1021/jm0700924 | cAMP-dependent protein kinase (PKA) | 1 |
| 17451235 | 10.1021/jm0700924 | PC-3M | 1 |
Data from ChEMBL 36 via Core Engine