Compound Detail
CHEMBL255482
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Basic Information
| ChEMBL ID | CHEMBL255482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTKKSVLVRWFINE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
3.28
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human p38alpha | 18313298 |
| PBMC | IC50 | = | 2.7 | nM | 8.57 | Inhibition of LPS-induced TNFalpha biosynthesis in human PBMC | 18313298 |
| Tyrosine-protein kinase Lck | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Lck | 18313298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18313298 | 10.1016/j.bmcl.2008.02.031 | Mitogen-activated protein kinase 14 | 1 |
| 18313298 | 10.1016/j.bmcl.2008.02.031 | PBMC | 1 |
| 18313298 | 10.1016/j.bmcl.2008.02.031 | Tyrosine-protein kinase Lck | 1 |
| 18313298 | 10.1016/j.bmcl.2008.02.031 | Mus musculus | 1 |
| 18313298 | 10.1016/j.bmcl.2008.02.031 | Serum | 1 |
Data from ChEMBL 36 via Core Engine