Compound Detail
CHEMBL5836134
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CN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncc(NC(C)(C)C)n5)ccc4cn3)ccn2)CC1
Basic Information
| ChEMBL ID | CHEMBL5836134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCJPZLNCCOCETE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
5.27
ALogP
7
HBA
2
HBD
95.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 6.13 | 6.13 | 748.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 4.0 | nM | 8.4 | Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... | - |
| Glycogen synthase kinase-3 beta | EC50 | = | 748.0 | nM | 6.13 | Kinase Assay : The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte... | - |
Data from ChEMBL 36 via Core Engine