Compound Detail
CHEMBL4796370
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4796370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCJUHMIFNPLSSY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.67
ALogP
6
HBA
1
HBD
67.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 9.08 | 9.08 | 0.8 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.58 | 5.58 | 2600.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.037 | mL.min-1.kg-1 | Homo sapiens |
| CL | 37.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 0.83 | nM | 9.08 | Inhibition of SYK (unknown origin) | 32721854 |
| Tyrosine-protein kinase SYK | IC50 | = | 0.83 | nM | 9.08 | Inhibition of SYK (unknown origin) | 32877741 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of human ERG | 32721854 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of human ERG assessed as tail current by plate-based planar patch cla... | 32877741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32721854 | 10.1016/j.bmcl.2020.127393 | ADMET | 2 |
| 32721854 | 10.1016/j.bmcl.2020.127393 | No relevant target | 2 |
| 32877741 | 10.1016/j.bmcl.2020.127523 | ADMET | 2 |
| 32721854 | 10.1016/j.bmcl.2020.127393 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 32721854 | 10.1016/j.bmcl.2020.127393 | SUD4 | 1 |
| 32721854 | 10.1016/j.bmcl.2020.127393 | Tyrosine-protein kinase SYK | 1 |
| 32877741 | 10.1016/j.bmcl.2020.127523 | Tyrosine-protein kinase SYK | 1 |
| 32877741 | 10.1016/j.bmcl.2020.127523 | No relevant target | 1 |
| 32877741 | 10.1016/j.bmcl.2020.127523 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 32877741 | 10.1016/j.bmcl.2020.127523 | SUD4 | 1 |
Data from ChEMBL 36 via Core Engine