Compound Detail
CHEMBL2386107
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Basic Information
| ChEMBL ID | CHEMBL2386107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOXBQQNEPQTXSK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.3
MW (Da)
3.76
ALogP
6
HBA
1
HBD
86.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.6 | 7.6 | 25.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 25.2 | nM | 7.6 | Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylat... | 23725591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23725591 | 10.1021/jm400511s | Glycogen synthase kinase-3 beta | 3 |
| 23725591 | 10.1021/jm400511s | ADMET | 2 |
Data from ChEMBL 36 via Core Engine