Compound Detail
CHEMBL2386275
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Basic Information
| ChEMBL ID | CHEMBL2386275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZPUTWXVIBPZLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.79
ALogP
6
HBA
1
HBD
82.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 114.0 | nM | 6.94 | Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylat... | 23725591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23725591 | 10.1021/jm400511s | ADMET | 2 |
| 23725591 | 10.1021/jm400511s | Glycogen synthase kinase-3 beta | 2 |
Data from ChEMBL 36 via Core Engine