Compound Detail
CHEMBL1339294
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 | CHEMBL1339294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTIAAMWQYVYEFI-ZROIWOOFSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
4.12
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.52 | 5.27 | 3000.0 | 4 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.7 | 4.7 | 19950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of 5-lipoxygenase in S100 supernatant assessed as inhibition of LTB4 ... | 21341744 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of 5-lipoxygenase in S100 supernatant assessed as inhibition of (5(S)... | 21341744 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as i... | 21341744 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as i... | 21341744 |
| Aminopeptidase N | IC50 | = | 19950.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21341744 | 10.1021/jm101165z | Polyunsaturated fatty acid 5-lipoxygenase | 4 |
Data from ChEMBL 36 via Core Engine