Compound Detail
CHEMBL1079243
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 | CHEMBL1079243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILJNSSZIEPAUIQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.84
ALogP
6
HBA
1
HBD
82.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | Ki | 7.05 | 7.05 | 89.0 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | Ki | = | 89.0 | nM | 7.05 | Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the pr... | 19632115 |
| cAMP-dependent protein kinase catalytic subunit alpha | Ki | = | 1200.0 | nM | 5.92 | Inhibition of PKAalpha assessed as decrease in NADH absorbance at 340 nm in the ... | 19632115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19632115 | 10.1016/j.bmcl.2009.07.022 | Ribosomal protein S6 kinase beta-1 | 1 |
| 19632115 | 10.1016/j.bmcl.2009.07.022 | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
| 19632115 | 10.1016/j.bmcl.2009.07.022 | Glycogen synthase kinase-3 beta | 1 |
| 19632115 | 10.1016/j.bmcl.2009.07.022 | Rho-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine