Compound Detail
CHEMBL1458120
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Basic Information
| ChEMBL ID | CHEMBL1458120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POSXQJOKESEPML-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
5.14
ALogP
6
HBA
1
HBD
93.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.33
IC50 1 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.49 | 5.49 | 3259.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.33 | 4.33 | 46582.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 3259.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Heat shock factor protein 1 | EC50 | = | 46582.0 | nM | 4.33 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine