Compound Detail
CHEMBL361007
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O=C1NC(=O)C(c2cnc3cnccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2
Basic Information
| ChEMBL ID | CHEMBL361007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSMGIZGHYKGTPR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
1.52
ALogP
8
HBA
1
HBD
114.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 3.2 | nM | 8.49 | Inhibitory concentration against the Glycogen synthase kinase-3 | 15686883 |
| Glycogen synthase kinase-3 beta | IC50 | = | 11.0 | nM | 7.96 | Inhibitory concentration to inhibit Ser396 phosphorylation of tau, a natural sub... | 15686883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686883 | 10.1016/j.bmcl.2004.12.063 | Unchecked | 3 |
| 15686883 | 10.1016/j.bmcl.2004.12.063 | Glycogen synthase kinase-3 | 1 |
| 15686883 | 10.1016/j.bmcl.2004.12.063 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine