Compound Detail
CHEMBL366327
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Basic Information
| ChEMBL ID | CHEMBL366327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDBWCDHRWIANND-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.86
ALogP
4
HBA
1
HBD
57.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.47
Kd 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase TEC CHEMBL5025 | EC50 | 4.47 | 4.47 | 34000.0 | 1 |
| Tyrosine-protein kinase TEC CHEMBL5025 | Kd | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase TEC | EC50 | = | 34000.0 | nM | 4.47 | Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence p... | 15481978 |
| Tyrosine-protein kinase TEC | Kd | = | 40000.0 | nM | 4.4 | Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence p... | 15481978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481978 | 10.1021/jm049533z | Tyrosine-protein kinase TEC | 2 |
| 15481978 | 10.1021/jm049533z | SH2/SH3 adapter protein NCK1 | 1 |
Data from ChEMBL 36 via Core Engine