Compound Detail
CHEMBL1916879
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Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12
Basic Information
| ChEMBL ID | CHEMBL1916879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIKNLOGXXNNBCE-RMKNXTFCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
601.6
MW (Da)
6.29
ALogP
7
HBA
2
HBD
94.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 8.81 | 8.81 | 1.6 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.78 | 7.78 | 16.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lyn | IC50 | = | 1.55 | nM | 8.81 | Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay | 21958547 |
| Tyrosine-protein kinase BTK | IC50 | = | 16.8 | nM | 7.78 | 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