Compound Detail
CHEMBL260000
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Basic Information
| ChEMBL ID | CHEMBL260000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCWPSUKJCKZEAO-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.9
MW (Da)
3.40
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.35 | 6.1 | 450.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.37 | 5.095 | 4300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 5.0 | nM | 8.3 | Inhibition of PKBbeta recombinant by radiometric filter binding assay | 18345609 |
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Inhibition of recombinant catalytic subunit PKA by radiometric filter binding as... | 18345609 |
| Glycogen synthase kinase-3 beta | IC50 | = | 450.0 | nM | 6.35 | Inhibition of GSK3-beta in human U87MG cells by ELISA | 18345609 |
| Glycogen synthase kinase-3 beta | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of GSK3-beta in human PC3M cells by ELISA | 18345609 |
| NON-PROTEIN TARGET | IC50 | = | 4300.0 | nM | 5.37 | Growth inhibition of human U87MG cells by SRB assay | 18345609 |
| NON-PROTEIN TARGET | IC50 | = | 15000.0 | nM | 4.82 | 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