Compound Detail
CHEMBL218720
GSK-466314A 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
CC1=C(C(=O)Nc2ccc3[nH]nc(C)c3c2)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1
Basic Information
| ChEMBL ID | CHEMBL218720 |
| Name | GSK-466314A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKWUUOHQLQALHL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
4
PK Parameters
20
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
4.41
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Thoracic aorta CHEMBL2367449 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 5.71 | 5.71 | 1950.0 | 1 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 5.32 | 5.32 | 4790.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1568.59 | nM | Rattus norvegicus |
| F | 18.0 | % | Rattus norvegicus |
| T1/2 | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human recombinant ROCK1 expressed in Sf9 cells at 10 mM | 17201405 |
| Thoracic aorta | IC50 | = | 130.0 | nM | 6.89 | Dilatory activity against phenylephrine-induced contraction of Sprague-Dawley ra... | 17201405 |
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 1950.0 | nM | 5.71 | Inhibition of RSK1 | 17201405 |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 4790.0 | nM | 5.32 | Inhibition of p70S6K | 17201405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase ABL1 | 14 |
| - | 10.6019/CHEMBL1961873 | Epidermal growth factor receptor | 10 |
| - | 10.6019/CHEMBL1961873 | Platelet-derived growth factor receptor alpha | 8 |
| - | 10.6019/CHEMBL1961873 | Mast/stem cell growth factor receptor Kit | 8 |
| - | 10.6019/CHEMBL1961873 | Proto-oncogene tyrosine-protein kinase receptor Ret | 6 |
| 17201405 | 10.1021/jm0609014 | Rattus norvegicus | 5 |
| - | 10.6019/CHEMBL1961873 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C beta type | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase B-raf | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL2007661 | Serine/threonine-protein kinase TBK1 | 2 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 6 | 2 |
| - | 10.6019/CHEMBL1961873 | Dual specificity protein kinase CLK2 | 2 |
| - | 10.6019/CHEMBL1961873 | Dual specificity protein kinase CLK3 | 2 |
| - | 10.6019/CHEMBL1961873 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 4 | 2 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 1 | 2 |
| - | 10.6019/CHEMBL1961873 | Casein kinase I isoform gamma-3 | 2 |
Data from ChEMBL 36 via Core Engine