Compound Detail
CHEMBL5527885
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Cc1[nH]c(/C=C2/C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL5527885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTNPALGJUAXMMC-HKJBKDEOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
1.69
ALogP
5
HBA
4
HBD
106.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase tousled-like 2 CHEMBL5404 | Kd | 6.57 | 6.06 | 270.0 | 2 |
| Serine/threonine-protein kinase tousled-like 1 CHEMBL5388 | Kd | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase tousled-like 2 | Kd | = | 270.0 | nM | 6.57 | Inhibition of TLK2 (unknown origin) | 38636130 |
| Serine/threonine-protein kinase tousled-like 1 | Kd | = | 630.0 | nM | 6.2 | Inhibition of TLK1 (unknown origin) | 38636130 |
| Serine/threonine-protein kinase tousled-like 2 | Kd | = | 2800.0 | nM | 5.55 | Inhibition of TLK2 (unknown origin) | 38636130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38636130 | 10.1016/j.ejmech.2024.116357 | Serine/threonine-protein kinase tousled-like 2 | 2 |
| 38636130 | 10.1016/j.ejmech.2024.116357 | Serine/threonine-protein kinase tousled-like 1 | 1 |
Data from ChEMBL 36 via Core Engine