Compound Detail
CHEMBL598439
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Basic Information
| ChEMBL ID | CHEMBL598439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIJXGYJGMQFIDA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.9
MW (Da)
3.15
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 44.0 | nM | 7.36 | Inhibition of PKBbeta by radiometric filter binding assay | 20151677 |
| Unchecked | IC50 | = | 2150.0 | nM | 5.67 | Inhibition of PKA by radiometric filter binding assay | 20151677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20151677 | 10.1021/jm901788j | Unchecked | 2 |
| 20151677 | 10.1021/jm901788j | RAC-beta serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine