Compound Detail
CHEMBL261247
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Basic Information
| ChEMBL ID | CHEMBL261247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZUZDXQRPMHXBK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
2.87
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.61 | 6.61 | 246.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.14 | 6.14 | 726.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 246.0 | nM | 6.61 | Inhibition of PKBbeta recombinant by radiometric filter binding assay | 18345609 |
| Unchecked | IC50 | = | 726.0 | nM | 6.14 | Inhibition of recombinant catalytic subunit PKA by radiometric filter binding as... | 18345609 |
| NON-PROTEIN TARGET | IC50 | = | 38000.0 | nM | 4.42 | Growth inhibition of human PC3M cells by SRB assay | 18345609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18345609 | 10.1021/jm701437d | NON-PROTEIN TARGET | 2 |
| 18345609 | 10.1021/jm701437d | Glycogen synthase kinase-3 beta | 2 |
| 18345609 | 10.1021/jm701437d | RAC-beta serine/threonine-protein kinase | 1 |
| 18345609 | 10.1021/jm701437d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine