Compound Detail
CHEMBL3685800
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Cc1cc(Nc2nccc(OCCO)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(N)=O)C(C)(C)C3)s2)c1
Basic Information
| ChEMBL ID | CHEMBL3685800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQJVNQVHLZCEMJ-IQGLISFBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
3.52
ALogP
9
HBA
4
HBD
143.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 3.0 | nM | 8.52 | Homogeneous Time-Resolved Fluorescence (HTRF) Assay : A recombinant GST-hSYK fus... | - |
Data from ChEMBL 36 via Core Engine