Compound Detail
CHEMBL4784149
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Basic Information
| ChEMBL ID | CHEMBL4784149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRYNBGCGMYKKOQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
3.48
ALogP
7
HBA
3
HBD
107.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.78 | 6.78 | 167.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 5.8 | 5.8 | 1597.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 167.0 | nM | 6.78 | Inhibition of BTK (unknown origin) using poly(Glu, Tyr) 4:1 as substrate incubat... | 32731189 |
| Tyrosine-protein kinase SYK | IC50 | = | 1597.0 | nM | 5.8 | Inhibition of SYK (unknown origin) using poly(Glu, Tyr) 4:1 as substrate incubat... | 32731189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32731189 | 10.1016/j.ejmech.2020.112636 | Tyrosine-protein kinase SYK | 1 |
| 32731189 | 10.1016/j.ejmech.2020.112636 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine