Compound Detail
CHEMBL1835064
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Basic Information
| ChEMBL ID | CHEMBL1835064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZNTWOVDIXCHHS-CABCVRRESA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.31
ALogP
6
HBA
4
HBD
119.0
PSA (Ų)
0.66
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
Kd 1 meas. best 5.71
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 | 6.5 | 6.5 | 316.2 | 1 |
| Venus kinase receptor 2 CHEMBL5169215 | Kd | 5.71 | 5.71 | 1960.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
| Venus kinase receptor 2 CHEMBL5169215 | IC50 | 5.25 | 5.25 | 5690.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.2 | 5.2 | 6309.6 | 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 | = | 316.23 | nM | 6.5 | Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by M... | 21903390 |
| Venus kinase receptor 2 | Kd | = | 1960.0 | nM | 5.71 | Binding affinity to Schistosoma mansoni N-terminal His6-tagged full-length VKR2 ... | 36385939 |
| Aurora kinase B | IC50 | = | 1995.26 | nM | 5.7 | Inhibition of human recombinant Flag-6His-Thr-tagged Aurora B assessed as phosph... | 21903390 |
| Venus kinase receptor 2 | IC50 | = | 5690.0 | nM | 5.25 | Inhibition of Schistosoma mansoni N-terminal His6-tagged full-length VKR2 kinase... | 36385939 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of human ERG expressed in CHO-K1 cells after 2 hrs by Cy3b-Dofetilide... | 21903390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36385939 | 10.1021/acsmedchemlett.2c00248 | Venus kinase receptor 2 | 2 |
| 36385939 | 10.1021/acsmedchemlett.2c00248 | Schistosoma mansoni | 2 |
| 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 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine