Compound Detail
CHEMBL4741959
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CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)c(C)n4)n3)cc12
Basic Information
| ChEMBL ID | CHEMBL4741959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPSUYJDNOFYGMK-DLBZAZTESA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
1.56
ALogP
11
HBA
4
HBD
149.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 32.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 3.2 | nM | 8.49 | Inhibition of SYK (unknown origin) | 32877741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32877741 | 10.1016/j.bmcl.2020.127523 | ADMET | 3 |
| 32877741 | 10.1016/j.bmcl.2020.127523 | Tyrosine-protein kinase SYK | 1 |
| 32877741 | 10.1016/j.bmcl.2020.127523 | No relevant target | 1 |
| 32877741 | 10.1016/j.bmcl.2020.127523 | Unchecked | 1 |
| 32877741 | 10.1016/j.bmcl.2020.127523 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 32877741 | 10.1016/j.bmcl.2020.127523 | SUD4 | 1 |
Data from ChEMBL 36 via Core Engine