Compound Detail
CHEMBL2207738
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Basic Information
| ChEMBL ID | CHEMBL2207738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARTHMYMZKYCXTE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
3.95
ALogP
7
HBA
0
HBD
67.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4... | 23127888 |
| Mus musculus | IC50 | = | 20.0 | nM | 7.7 | Ex vivo inhibition of LTA4 hydrolase in po dosed Balb/c mouse whole blood assess... | 23127888 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human ERG by patch clamp assay | 23127888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23127888 | 10.1016/j.bmcl.2012.10.036 | Mus musculus | 3 |
| 23127888 | 10.1016/j.bmcl.2012.10.036 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 23127888 | 10.1016/j.bmcl.2012.10.036 | Leukotriene A-4 hydrolase | 1 |
Data from ChEMBL 36 via Core Engine