Compound Detail
CHEMBL257996
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Basic Information
| ChEMBL ID | CHEMBL257996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPWKWRDKUGCMCL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.89
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| PBMC CHEMBL613107 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 4.5 | nM | 8.35 | Inhibition of human p38alpha | 18313298 |
| PBMC | IC50 | = | 42.0 | nM | 7.38 | Inhibition of LPS-induced TNFalpha biosynthesis in human PBMC | 18313298 |
| Tyrosine-protein kinase Lck | IC50 | = | 4800.0 | nM | 5.32 | 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 |
Data from ChEMBL 36 via Core Engine