Compound Detail
CHEMBL1916719
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Basic Information
| ChEMBL ID | CHEMBL1916719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AECWUIGFVNZNGR-SNAWJCMRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
2.62
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 5.37 | 5.37 | 4290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 4290.0 | nM | 5.37 | Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide pep... | 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