Compound Detail
CHEMBL5905119
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C[C@@H](CN1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5905119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPMDJEYYXDHQSO-HNNXBMFYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
4.48
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.72 | 8.72 | 1.9 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Proto-oncogene Wnt-1 CHEMBL1255129 | EC50 | 6.24 | 6.24 | 578.0 | 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 | = | 1.9 | nM | 8.72 | The screening assay for DYRK1A kinase activity : Each compound was dissolved in ... | - |
| Glycogen synthase kinase-3 beta | EC50 | = | 20.0 | nM | 7.7 | The screening for GSK3beta kinase activity: Each compound is dissolved in DMSO a... | - |
| Proto-oncogene Wnt-1 | EC50 | = | 578.0 | nM | 6.24 | The screening assay for Wnt activity: The screening assay for Wnt activity is de... | - |
Data from ChEMBL 36 via Core Engine