Compound Detail
CHEMBL4104392
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COc1ccc(Nc2nc(N3CC[C@H](NC(=O)c4ccc(C(=O)O)cc4)C3)nc3scnc23)cc1OC
Basic Information
| ChEMBL ID | CHEMBL4104392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRGCZORIQMQMAN-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
3.55
ALogP
10
HBA
3
HBD
138.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 47.0 | nM | 7.33 | Inhibition of SYK (unknown origin) using FAM-labeled peptide as substrate preinc... | 28268139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28268139 | 10.1016/j.bmcl.2017.02.060 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine