Compound Detail
CHEMBL1775068
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Basic Information
| ChEMBL ID | CHEMBL1775068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMFDNVJXDZBLQR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.19
ALogP
5
HBA
1
HBD
61.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of N-terminal His6 tagged full-length human recombinant active RSK2 u... | - |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 950.0 | nM | 6.02 | Inhibition of RSK2 after 60 mins | 21488662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21488662 | 10.1021/jm200139j | HCT-116 | 2 |
| 21488662 | 10.1021/jm200139j | MCF7 | 2 |
| 21488662 | 10.1021/jm200139j | MDA-MB-231 | 2 |
| - | 10.1039/C5MD00469A | Ribosomal protein S6 kinase alpha-2 | 2 |
| 21488662 | 10.1021/jm200139j | Ribosomal protein S6 kinase alpha-3 | 1 |
Data from ChEMBL 36 via Core Engine