Compound Detail
CHEMBL2348850
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Basic Information
| ChEMBL ID | CHEMBL2348850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWUBOSRORWJGRU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
2.79
ALogP
6
HBA
2
HBD
98.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.85 | 6.5733 | 14.0 | 3 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.01 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) u... | 23350847 |
| Tyrosine-protein kinase SYK | IC50 | = | 190.0 | nM | 6.72 | Inhibition of SYK in human Ramos cells | 23350847 |
| Tyrosine-protein kinase SYK | IC50 | = | 7090.0 | nM | 5.15 | Inhibition of SYK in human whole blood | 23350847 |
| Cytochrome P450 2C9 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of CYP2C9 (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 2C9 | 1 |
| 23350847 | 10.1021/jm301720p | Plasma | 1 |
| 23350847 | 10.1021/jm301720p | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine