Compound Detail
CHEMBL144028
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 | CHEMBL144028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMSNEKOTSJRTRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
2.99
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.64 | mL.min-1.kg-1 | Macaca fascicularis |
| T1/2 | 14.5 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 200.0 | nM | 6.7 | 5-lipoxygenase Inhibitory activity was measured by enzyme immunoassay using huma... | 7490726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32031378 | 10.1021/acs.jmedchem.9b01617 | ADMET | 2 |
| 7490726 | 10.1021/jm00024a004 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 7490726 | 10.1021/jm00024a004 | Rattus norvegicus | 1 |
| 7490726 | 10.1021/jm00024a004 | Monkey | 1 |
| 32031378 | 10.1021/acs.jmedchem.9b01617 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine