Compound Detail
CHEMBL82560
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Basic Information
| ChEMBL ID | CHEMBL82560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRBHBMXMUBXVEW-UUILKARUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.1
MW (Da)
4.39
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 144.0 | nM | 6.84 | Inhibition of p56 Lck tyrosine kinase | 9873567 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Protein Kinase A (PKA) | 9873567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873567 | 10.1016/s0960-894x(98)00445-4 | Tyrosine-protein kinase Lck | 1 |
| 9873567 | 10.1016/s0960-894x(98)00445-4 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 9873567 | 10.1016/s0960-894x(98)00445-4 | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine