Compound Detail
CHEMBL5184056
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Basic Information
| ChEMBL ID | CHEMBL5184056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFZXKZNWMHCMPD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
255.7
MW (Da)
2.34
ALogP
5
HBA
0
HBD
67.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-5 CHEMBL4237 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
| Ribosomal protein S6 kinase alpha-4 CHEMBL3125 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-5 | IC50 | = | 12.59 | nM | 7.9 | Inhibition of full-length N-terminal His-TEV-tagged inactive form of MSK1 (2 to ... | 35859861 |
| Ribosomal protein S6 kinase alpha-4 | IC50 | = | 19.95 | nM | 7.7 | Inhibition of MSK2 (unknown origin) FAM-PSKPAATRKRRWSAPESR-NH2 as substrate prei... | 35859861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35859861 | 10.1021/acsmedchemlett.2c00134 | No relevant target | 2 |
| 35859861 | 10.1021/acsmedchemlett.2c00134 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 35859861 | 10.1021/acsmedchemlett.2c00134 | Ribosomal protein S6 kinase alpha-4 | 1 |
| 35859861 | 10.1021/acsmedchemlett.2c00134 | Ribosomal protein S6 kinase alpha-1 | 1 |
| 35859861 | 10.1021/acsmedchemlett.2c00134 | Ribosomal protein S6 kinase alpha-3 | 1 |
| 35859861 | 10.1021/acsmedchemlett.2c00134 | Serine/threonine-protein kinase PLK3 | 1 |
Data from ChEMBL 36 via Core Engine