Compound Detail
CHEMBL539640
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Basic Information
| ChEMBL ID | CHEMBL539640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKNLMMDEWQZCLJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
189.3
MW (Da)
2.87
ALogP
2
HBA
1
HBD
26.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 4.01 | 3.99 | 98000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 ... | 19950900 |
| Leukotriene A-4 hydrolase | IC50 | = | 106000.0 | nM | 3.98 | Inhibition of peptidase activity of human recombinant LTA4H expressed in Escheri... | 19618939 |
| Leukotriene A-4 hydrolase | IC50 | = | 106000.0 | nM | 3.98 | Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escheri... | 19618939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38416116 | 10.1021/acs.jmedchem.4c00195 | Trace amine-associated receptor 1 | 4 |
| 19618939 | 10.1021/jm900259h | Leukotriene A-4 hydrolase | 2 |
| 19618939 | 10.1021/jm900259h | Blood | 1 |
| 19618939 | 10.1021/jm900259h | No relevant target | 1 |
| 19950900 | 10.1021/jm900838g | Leukotriene A-4 hydrolase | 1 |
Data from ChEMBL 36 via Core Engine