Compound Detail
CHEMBL30678
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Basic Information
| ChEMBL ID | CHEMBL30678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIWJHDIYQSQOAT-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
3.12
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.47 | 6.938 | 34.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| MRT | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 34.0 | nM | 7.47 | Inhibitory activity against spleen tyrosine kinase (SYK) | 12668002 |
| Tyrosine-protein kinase SYK | IC50 | = | 34.0 | nM | 7.47 | Inhibition of recombinant Syk | 19254842 |
| Tyrosine-protein kinase SYK | IC50 | = | 34.0 | nM | 7.47 | Inhibition of SYK | 22257213 |
| Tyrosine-protein kinase SYK | IC50 | = | 552.0 | nM | 6.26 | Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as subs... | 26320624 |
| Tyrosine-protein kinase SYK | IC50 | = | 951.0 | nM | 6.02 | Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho... | 26320624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26320624 | 10.1016/j.bmcl.2015.08.037 | Rattus norvegicus | 6 |
| 26320624 | 10.1016/j.bmcl.2015.08.037 | Liver microsome | 6 |
| 26320624 | 10.1016/j.bmcl.2015.08.037 | Tyrosine-protein kinase SYK | 3 |
| 12668002 | 10.1016/s0960-894x(03)00163-x | Tyrosine-protein kinase SYK | 1 |
| 19254842 | 10.1016/j.bmcl.2009.02.049 | Tyrosine-protein kinase SYK | 1 |
| 22257213 | 10.1021/jm201271b | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine