Compound Detail
CHEMBL4786769
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Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)nn4C)n2)cc1N[C@@H]1CCOC[C@@H]1N
Basic Information
| ChEMBL ID | CHEMBL4786769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDWYTJYEYTVURX-JKSUJKDBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
453.9
MW (Da)
2.78
ALogP
10
HBA
3
HBD
120.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 62.0 | nM | 7.21 | Inhibition of SYK (unknown origin) | 32877741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32877741 | 10.1016/j.bmcl.2020.127523 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine