Compound Detail
CHEMBL5279136
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Basic Information
| ChEMBL ID | CHEMBL5279136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTBGWFCNTTTXPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.3
MW (Da)
1.07
ALogP
7
HBA
5
HBD
149.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 15900.0 | nM | 4.8 | Inhibition of SARS-CoV-2 RdRp using ATP substrate preincubated with compound for... | 36716583 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36716583 | 10.1016/j.bmc.2023.117179 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine