Compound Detail
CHEMBL5775813
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CC1(C)C[C@@](O)(c2ncc(-c3cc(N)cc(Nc4cc(C(F)(F)F)ccn4)n3)s2)CC[C@@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5775813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGKHADRNTXINIQ-JLCFBVMHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
5.04
ALogP
8
HBA
4
HBD
134.2
PSA (Ų)
0.38
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 10.15 | 9.72 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 0.071 | nM | 10.15 | Homogeneous Time-Resolved Fluorescence (HTRF) Assay: A recombinant GST-hSYK fusi... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 0.516 | nM | 9.29 | Homogeneous Time-Resolved Fluorescence (HTRF) Assay: A recombinant GST-hSYK fusi... | - |
Data from ChEMBL 36 via Core Engine