Compound Detail
CHEMBL1587607
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Basic Information
| ChEMBL ID | CHEMBL1587607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGZGGDFTPYYPMV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
221.7
MW (Da)
2.32
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 6.21 | 6.2 | 618.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 138.04 | mL.min-1.g-1 | Homo sapiens |
| CL | 150.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 618.0 | nM | 6.21 | Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion ... | 26037322 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 645.0 | nM | 6.19 | Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in con... | 26037322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26037322 | 10.1016/j.bmcl.2015.05.004 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 4 |
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine