Compound Detail
CHEMBL289356
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Basic Information
| ChEMBL ID | CHEMBL289356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOJLJKMUGYYKCZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
2.57
ALogP
5
HBA
2
HBD
37.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 6.05 | 6.05 | 892.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 390.0 | nM | 6.41 | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 892.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 10229623 | 10.1021/jm9803222 | Stromelysin-1 | 1 |
| - | 10.6019/CHEMBL4495564 | Chymotrypsin | 1 |
| - | 10.6019/EOS300041 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/EOS300044 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine