Compound Detail
CHEMBL1496459
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Basic Information
| ChEMBL ID | CHEMBL1496459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZWLCERKQSGFRA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
4.53
ALogP
7
HBA
1
HBD
92.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.2
Ki 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.2 | 5.2 | 6355.0 | 1 |
| fMet-Leu-Phe receptor CHEMBL3359 | Ki | 4.24 | 4.24 | 57700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 6355.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| fMet-Leu-Phe receptor | Ki | = | 57700.0 | nM | 4.24 | PubChem BioAssay. Dose Response Assay for Formylpeptide Receptor (FPR) Ligands a... | - |
Data from ChEMBL 36 via Core Engine