Compound Detail
CHEMBL4545000
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Basic Information
| ChEMBL ID | CHEMBL4545000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNTUWEZDVRVSFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.47
ALogP
8
HBA
0
HBD
90.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 6.35 | 6.35 | 451.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.28 | 6.28 | 521.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 451.0 | nM | 6.35 | Inhibition of human GSK-3alpha using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate ... | 30925338 |
| Glycogen synthase kinase-3 beta | IC50 | = | 521.0 | nM | 6.28 | Inhibition of human GSK-3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate m... | 30925338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30925338 | 10.1016/j.ejmech.2019.03.039 | HL-60 | 4 |
| 30925338 | 10.1016/j.ejmech.2019.03.039 | NB-4 | 4 |
| 30925338 | 10.1016/j.ejmech.2019.03.039 | Unchecked | 2 |
| 30925338 | 10.1016/j.ejmech.2019.03.039 | Glycogen synthase kinase-3 alpha | 1 |
| 30925338 | 10.1016/j.ejmech.2019.03.039 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine