Compound Detail
CHEMBL3263315
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Cn1ncc2c(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc21
Basic Information
| ChEMBL ID | CHEMBL3263315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJJOJCZEYZDSNG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
589.7
MW (Da)
5.80
ALogP
8
HBA
2
HBD
114.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 12700.0 | nM | 4.9 | Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells ... | 24685542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24685542 | 10.1016/j.bmcl.2014.02.075 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine