Compound Detail
CHEMBL5285252
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Basic Information
| ChEMBL ID | CHEMBL5285252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTZSTTZTBZUPDS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
2.90
ALogP
6
HBA
2
HBD
103.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mammarenavirus choriomeningitidis CHEMBL5291622 | EC50 | 8.39 | 8.39 | 4.1 | 1 |
| Junin virus CHEMBL4523072 | EC50 | 8.24 | 8.24 | 5.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 693.12 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 11.3 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 8.2 | % | Rattus norvegicus |
| Fu | 0.0136 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mammarenavirus choriomeningitidis | EC50 | = | 4.1 | nM | 8.39 | Antiviral activity against Lymphocytic choriomeningitis virus | 36758821 |
| Junin virus | EC50 | = | 5.8 | nM | 8.24 | Antiviral activity against Junin virus | 36758821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36758821 | 10.1016/j.bmcl.2023.129175 | ADMET | 7 |
| 36758821 | 10.1016/j.bmcl.2023.129175 | Junin virus | 1 |
| 36758821 | 10.1016/j.bmcl.2023.129175 | Mammarenavirus choriomeningitidis | 1 |
Data from ChEMBL 36 via Core Engine