Compound Detail
CHEMBL3685789
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CCOC(=O)C1CCC(O)(c2ncc(-c3cc(C)cc(Nc4nccc(C)n4)c3)s2)CC1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3685789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKWONYAPZSUKCZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
6.30
ALogP
8
HBA
2
HBD
97.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.22 | 6.22 | 596.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 596.0 | nM | 6.22 | Homogeneous Time-Resolved Fluorescence (HTRF) Assay : A recombinant GST-hSYK fus... | - |
Data from ChEMBL 36 via Core Engine