Compound Detail
CHEMBL41864
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Basic Information
| ChEMBL ID | CHEMBL41864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGQSMRQYEPPNIA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
3.87
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Ki 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Sodium channel protein type 4 subunit alpha CHEMBL2072 | Ki | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 26.0 | nM | 7.58 | Inhibition of LTA4H (unknown origin) using Arg-AMC as substrate preincubated wit... | 38476002 |
| Sodium channel protein type 4 subunit alpha | Ki | = | 240.0 | nM | 6.62 | Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells | 14998340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14998340 | 10.1021/jm030498q | Sodium channel protein type 4 subunit alpha | 3 |
| 38476002 | 10.1021/acs.jmedchem.4c00290 | No relevant target | 2 |
| 38476002 | 10.1021/acs.jmedchem.4c00290 | Leukotriene A-4 hydrolase | 1 |
| 38476002 | 10.1021/acs.jmedchem.4c00290 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine