Compound Detail
CHEMBL2347073
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Basic Information
| ChEMBL ID | CHEMBL2347073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGZGBDVILWVGSF-FLIBITNWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
211.2
MW (Da)
2.77
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 5.46 | 5.285 | 3470.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 4.52 | 4.52 | 30070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 3470.0 | nM | 5.46 | Inhibition of RSK2 (unknown origin) using AKRRRLSSLRA as substrate after 60 mins... | 23434140 |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 7760.0 | nM | 5.11 | Inhibition of RSK2 (unknown origin) | 23434140 |
| MCF7 | IC50 | = | 30070.0 | nM | 4.52 | Cytotoxicity against human MCF7 cells assessed as growth inhibition after 48 hrs... | 23434140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26428872 | 10.1016/j.bmcl.2015.09.048 | Mus musculus | 4 |
| 23434140 | 10.1016/j.bmc.2013.01.047 | Ribosomal protein S6 kinase alpha-3 | 3 |
| 30902399 | 10.1016/j.bmc.2019.03.028 | Glycogen synthase kinase-3 beta | 2 |
| 23434140 | 10.1016/j.bmc.2013.01.047 | MCF7 | 1 |
| 23434140 | 10.1016/j.bmc.2013.01.047 | PC-3 | 1 |
| 30902399 | 10.1016/j.bmc.2019.03.028 | A549 | 1 |
Data from ChEMBL 36 via Core Engine