Compound Detail
CHEMBL1834758
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Basic Information
| ChEMBL ID | CHEMBL1834758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZMCQVGUQKFBIJ-ZDUSSCGKSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
1.79
ALogP
6
HBA
4
HBD
105.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
| Mitogen-activated protein kinase; ERK1/ERK2 CHEMBL1907606 | IC50 | 6.9 | 6.9 | 125.9 | 1 |
| B cell CHEMBL5314312 | IC50 | 6.9 | 6.9 | 125.9 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 79.43 | nM | 7.1 | Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation... | 21903390 |
| Mitogen-activated protein kinase; ERK1/ERK2 | IC50 | = | 125.89 | nM | 6.9 | Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by M... | 21903390 |
| B cell | IC50 | = | 125.89 | nM | 6.9 | Immunomodulatory activity in human primary B cells assessed as induction of CD69... | 21903390 |
| Aurora kinase B | IC50 | = | 398.11 | nM | 6.4 | Inhibition of human recombinant Flag-6His-Thr-tagged Aurora B assessed as phosph... | 21903390 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of human ERG expressed in CHO-K1 cells after 2 hrs by Cy3b-Dofetilide... | 21903390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21903390 | 10.1016/j.bmcl.2011.07.082 | Albumin | 1 |
| 21903390 | 10.1016/j.bmcl.2011.07.082 | Tyrosine-protein kinase SYK | 1 |
| 21903390 | 10.1016/j.bmcl.2011.07.082 | Aurora kinase B | 1 |
| 21903390 | 10.1016/j.bmcl.2011.07.082 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21903390 | 10.1016/j.bmcl.2011.07.082 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 21903390 | 10.1016/j.bmcl.2011.07.082 | B cell | 1 |
Data from ChEMBL 36 via Core Engine