Compound Detail
CHEMBL1234002
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Basic Information
| ChEMBL ID | CHEMBL1234002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQYPBKQMDVWUGO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
5.82
ALogP
6
HBA
1
HBD
73.8
PSA (Ų)
0.39
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | Kd | 9.7 | 9.7 | 0.2 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | Kd | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | Kd | = | 0.2 | nM | 9.7 | Inhibition of LCK | 21375264 |
| Mitogen-activated protein kinase 14 | Kd | = | 10.0 | nM | 8.0 | Inhibition of p38alpha | 21375264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21375264 | 10.1021/jm101423y | Tyrosine-protein kinase Lck | 1 |
| 21375264 | 10.1021/jm101423y | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine