Compound Detail
CHEMBL3263641
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CCCn1cnc2c(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)nc21
Basic Information
| ChEMBL ID | CHEMBL3263641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQOQEGJXWTVUBU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
631.8
MW (Da)
6.98
ALogP
8
HBA
2
HBD
114.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 170.0 | nM | 6.77 | 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 | Unchecked | 3 |
| 24685542 | 10.1016/j.bmcl.2014.02.075 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine