Compound Detail
CHEMBL1080072
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Basic Information
| ChEMBL ID | CHEMBL1080072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEWIXJYBHWXEPB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.40
ALogP
7
HBA
1
HBD
92.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 6.34 | 6.34 | 460.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 6.03 | 6.03 | 940.0 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | Ki | = | 39.0 | nM | 7.41 | Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the pr... | 19632115 |
| Glycogen synthase kinase-3 beta | Ki | = | 460.0 | nM | 6.34 | Inhibition of GSK3-beta assessed as decrease in NADH absorbance at 340 nm in the... | 19632115 |
| Rho-associated protein kinase 1 | Ki | = | 940.0 | nM | 6.03 | Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the pre... | 19632115 |
| cAMP-dependent protein kinase catalytic subunit alpha | Ki | = | 2500.0 | nM | 5.6 | 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