Compound Detail
CHEMBL4846770
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Basic Information
| ChEMBL ID | CHEMBL4846770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBMOLIOJAWRTIV-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.24
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 6.15 | 6.15 | 702.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of N-terminal His6-tagged human p70S6k T412E mutant (1 to 421 residue... | 34596404 |
| Molecular identity unknown | IC50 | = | 702.0 | nM | 6.15 | Inhibition of PI3K/Akt/mTOR pathway in human MDA-MB-468 cells assessed as reduct... | 34596404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34596404 | 10.1021/acs.jmedchem.1c01087 | Ribosomal protein S6 kinase beta-1 | 1 |
| 34596404 | 10.1021/acs.jmedchem.1c01087 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine