Compound Detail
CHEMBL154630
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 | CHEMBL154630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNALIBYADVEBGQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
205.1
MW (Da)
1.82
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.57
EC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.57 | 4.57 | 26915.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 5400.0 | nM | 5.27 | Antiviral activity against HCV genotype 1b infected in human Huh7 cells after 3 ... | 25490700 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 27000.0 | nM | 4.57 | In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia c... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 26915.35 | nM | 4.57 | Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat baso... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 27000.0 | nM | 4.57 | In vitro inhibitory activity against RBL-1 5-LO | 3820229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2308149 | 10.1021/jm00165a017 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 25490700 | 10.1021/jm501330g | ADMET | 2 |
| 3820229 | 10.1021/jm00386a022 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 25490700 | 10.1021/jm501330g | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine