Compound Detail
CHEMBL84808
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Basic Information
| ChEMBL ID | CHEMBL84808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBYUXBSIKVMXQE-QDEBKDIKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.2
MW (Da)
3.74
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.99 | 6.99 | 102.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 102.0 | nM | 6.99 | Inhibition of p56 Lck tyrosine kinase | 9873567 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of Src tyrosine kinase | 9873567 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 5000.0 | nM | 5.3 | 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