Compound Detail
CHEMBL1588059
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Basic Information
| ChEMBL ID | CHEMBL1588059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOCIRYFPOPFRJV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.23
ALogP
7
HBA
0
HBD
62.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 6.02 | 6.02 | 955.3 | 1 |
| 3C-like protease CHEMBL1293307 | IC50 | 5.96 | 5.96 | 1085.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.61 | 5.61 | 2464.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 955.27 | nM | 6.02 | PUBCHEM_BIOASSAY: Thrombin 1536 HTS Dose Response Confirmation. (Class of assay:... | - |
| 3C-like protease | IC50 | = | 1085.0 | nM | 5.96 | PUBCHEM_BIOASSAY: QFRET-based dose response biochemical high throughput screenin... | - |
| Unchecked | IC50 | = | 2464.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen for inhibitors of the SARS co... | - |
Data from ChEMBL 36 via Core Engine