Compound Detail
CHEMBL1916887
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Basic Information
| ChEMBL ID | CHEMBL1916887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRZLWHGHUZJYPX-RMKNXTFCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
3.72
ALogP
7
HBA
2
HBD
86.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.98 | 7.98 | 10.4 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.35 | 7.35 | 44.9 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 6.78 | 6.78 | 167.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 10.4 | nM | 7.98 | Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide pep... | 21958547 |
| NON-PROTEIN TARGET | IC50 | = | 44.9 | nM | 7.35 | Inhibition of anti-IgM-stimulated human B cell proliferation assessed as [3H]thy... | 21958547 |
| Tyrosine-protein kinase Lyn | IC50 | = | 167.0 | nM | 6.78 | Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay | 21958547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21958547 | 10.1016/j.bmcl.2011.09.008 | Tyrosine-protein kinase BTK | 1 |
| 21958547 | 10.1016/j.bmcl.2011.09.008 | Tyrosine-protein kinase Lyn | 1 |
| 21958547 | 10.1016/j.bmcl.2011.09.008 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine