Compound Detail
CHEMBL2347408
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Basic Information
| ChEMBL ID | CHEMBL2347408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSAIMZAFUWHQMD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
2.52
ALogP
6
HBA
3
HBD
100.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.19 | 6.31 | 64.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 64.0 | nM | 7.19 | Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) u... | 23350847 |
| Tyrosine-protein kinase SYK | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of SYK in human Ramos cells | 23350847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23350847 | 10.1021/jm301720p | Liver microsomes | 2 |
| 23350847 | 10.1021/jm301720p | Tyrosine-protein kinase SYK | 2 |
| 23350847 | 10.1021/jm301720p | Cytochrome P450 3A4 | 1 |
| 23350847 | 10.1021/jm301720p | Caco-2 | 1 |
| 23350847 | 10.1021/jm301720p | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine