Compound Detail
CHEMBL4853207
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Basic Information
| ChEMBL ID | CHEMBL4853207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFVYGTKJLUDNOT-QGZVFWFLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.9
MW (Da)
4.86
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 8.48 | 1.0 | 2 |
| Serine/threonine-protein kinase AKT CHEMBL2111353 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition of p70S6K (unknown origin) | 34481987 |
| Serine/threonine-protein kinase AKT | IC50 | = | 1.4 | nM | 8.85 | Inhibition of Akt (unknown origin) | 34481987 |
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Akt/p70S6K in human MDA-MB-436 cells assessed as inhibition of S6 ... | 34481987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34481987 | 10.1016/j.bmcl.2021.128352 | Unchecked | 2 |
| 34481987 | 10.1016/j.bmcl.2021.128352 | Serine/threonine-protein kinase AKT | 1 |
Data from ChEMBL 36 via Core Engine