Compound Detail
CHEMBL5904061
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O=C1CCc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1
Basic Information
| ChEMBL ID | CHEMBL5904061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLJPXMDONXENQV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
5.72
ALogP
4
HBA
3
HBD
99.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 6.58 | 6.58 | 266.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | EC50 | = | 7.0 | nM | 8.15 | Kinase Assay: The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte ... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 266.0 | nM | 6.58 | Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... | - |
Data from ChEMBL 36 via Core Engine