Compound Detail
CHEMBL2347406
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Basic Information
| ChEMBL ID | CHEMBL2347406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQBJFWRJYGUZTQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.52
ALogP
5
HBA
4
HBD
119.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.52 | 7.3233 | 3.0 | 3 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) u... | 23350847 |
| Tyrosine-protein kinase SYK | IC50 | = | 86.0 | nM | 7.07 | Inhibition of SYK in human Ramos cells | 23350847 |
| Tyrosine-protein kinase SYK | IC50 | = | 412.0 | nM | 6.38 | Inhibition of SYK in human whole blood | 23350847 |
| Cytochrome P450 2D6 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of CYP2D6 (unknown origin) | 23350847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23350847 | 10.1021/jm301720p | Tyrosine-protein kinase SYK | 3 |
| 23350847 | 10.1021/jm301720p | Liver microsomes | 2 |
| 23350847 | 10.1021/jm301720p | Cytochrome P450 2D6 | 1 |
| 23350847 | 10.1021/jm301720p | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine