Compound Detail
CHEMBL5632482
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CC(C)C[C@H](CNC(=O)c1cc2ccccc2[nH]1)CNC(=O)n1cc(F)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL5632482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMKDOIPYZMFCOC-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
1.81
ALogP
5
HBA
4
HBD
128.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of recombinant full length his tagged C-terminal SARS-CoV 2 main prot... | 37633203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37633203 | 10.1016/j.ejmech.2023.115720 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine