Compound Detail
CHEMBL1346278
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Basic Information
| ChEMBL ID | CHEMBL1346278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKFNCJXVHWMQRU-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
3.32
ALogP
5
HBA
1
HBD
90.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 5.16 | 998.0 | 4 |
| 3C-like protease CHEMBL1293307 | IC50 | 5.32 | 5.32 | 4834.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 998.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| 3C-like protease | IC50 | = | 4834.0 | nM | 5.32 | PUBCHEM_BIOASSAY: QFRET-based dose response biochemical high throughput screenin... | - |
| Unchecked | IC50 | = | 5010.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 18900.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 23700.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine