Compound Detail
CHEMBL5788352
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Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CC[C@@H](C(=O)O)C(C)(C)C3)s2)c1
Basic Information
| ChEMBL ID | CHEMBL5788352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJAQOOJIWUCDHI-WNSKOXEYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
5.77
ALogP
7
HBA
3
HBD
108.2
PSA (Ų)
0.40
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 10.14 | 10.14 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 0.073 | nM | 10.14 | Homogeneous Time-Resolved Fluorescence (HTRF) Assay: A recombinant GST-hSYK fusi... | - |
Data from ChEMBL 36 via Core Engine