Compound Detail
CHEMBL3919663
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3919663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKKVTBLCSODBLG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
4.00
ALogP
6
HBA
1
HBD
72.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.99 | 5.825 | 102.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 87.0 | nM | 7.06 | P70S6K Enzyme Assay: P70S6K inhibitor compounds are diluted and plated in 96 wel... | - |
| Unchecked | IC50 | = | 102.0 | nM | 6.99 | Inhibition of p70S6K (unknown origin) | 34481987 |
| Unchecked | IC50 | = | 22000.0 | nM | 4.66 | 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 |
| 34481987 | 10.1016/j.bmcl.2021.128352 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine