Compound Detail
CHEMBL270473
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Cc1cc(-c2cc(-c3nc4ccc(CN5CCN(C)CC5)cc4[nH]3)c(=O)[nH]n2)cc(C)c1O
Basic Information
| ChEMBL ID | CHEMBL270473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVQKVUBZVRHAFV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.05
ALogP
6
HBA
3
HBD
101.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1.5 | nM | 8.82 | Inhibition of human GSK3-beta | 18006321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18006321 | 10.1016/j.bmc.2007.10.047 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine