Compound Detail
CHEMBL1410068
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Basic Information
| ChEMBL ID | CHEMBL1410068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMCWKGDGAHVFMC-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
5.45
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.58
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.88
IC50 1 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.49 | 5.49 | 3220.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.88 | 4.7267 | 13100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 3220.0 | nM | 5.49 | Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in ... | - |
| Unchecked | EC50 | = | 13100.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 14500.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 34500.0 | nM | 4.46 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1101/2020.03.20.999730 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.03.20.999730 | Vero | 1 |
| - | 10.1101/2020.03.20.999730 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine