Compound Detail
CHEMBL3589658
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Basic Information
| ChEMBL ID | CHEMBL3589658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUXATRZLTYYNKW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
3.27
ALogP
3
HBA
3
HBD
103.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 350.0 | nM | 6.46 | Inhibition of pig brain GSK3 using GS-1 peptide as substrate after 30 mins by sc... | 25730262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25730262 | 10.1021/jm501994d | Unchecked | 3 |
| 25730262 | 10.1021/jm501994d | Cyclin-dependent kinase 2 | 1 |
| 25730262 | 10.1021/jm501994d | Cyclin-dependent kinase 5 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 25730262 | 10.1021/jm501994d | Mitogen-activated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine