Compound Detail
CHEMBL5573207
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COC(=O)N1CCC(c2ccc(Nc3nccc(-c4ccc5nc(N6C[C@@H]7C[C@H]6CO7)ncc5c4)n3)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL5573207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHQYOYCEANHCQU-GOTSBHOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
4.15
ALogP
10
HBA
1
HBD
118.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17A CHEMBL4525 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17A | IC50 | = | 29.0 | nM | 7.54 | Inhibition of STK17A (unknown origin) in presence of ATP | 38894933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38894933 | 10.1021/acsmedchemlett.4c00125 | Serine/threonine-protein kinase 17A | 1 |
Data from ChEMBL 36 via Core Engine