Compound Detail
CHEMBL5817298
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c1cc2cc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3ccc(cc13)-c1cncc(c1)OCCC2
Basic Information
| ChEMBL ID | CHEMBL5817298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDTJTTZBKPTUJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
6.16
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 5.73 | 5.73 | 1866.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | EC50 | = | 1866.0 | nM | 5.73 | Kinase Assay: The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte ... | - |
Data from ChEMBL 36 via Core Engine