Compound Detail
CHEMBL1339229
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CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nc(O)c2c(n1)c(C(C)(C)C)nn2C
Basic Information
| ChEMBL ID | CHEMBL1339229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMVZVLPMWCBOFI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
3.51
ALogP
8
HBA
2
HBD
119.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mucolipin-3 CHEMBL1293243 | EC50 | 6.11 | 6.11 | 781.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.9 | 5.485 | 1258.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mucolipin-3 | EC50 | = | 781.0 | nM | 6.11 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Unchecked | EC50 | = | 1258.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 8446.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine