Compound Detail
CHEMBL5281399
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Basic Information
| ChEMBL ID | CHEMBL5281399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUNBMHTZRGMBAK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.50
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.0 | hr | Mus musculus |
| T1/2 | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 8500.0 | nM | 5.07 | 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 | ADMET | 2 |
| 36716583 | 10.1016/j.bmc.2023.117179 | Replicase polyprotein 1ab | 1 |
| 36716583 | 10.1016/j.bmc.2023.117179 | No relevant target | 1 |
| 36621139 | 10.1016/j.ejmech.2022.115044 | DNA polymerase eta | 1 |
Data from ChEMBL 36 via Core Engine