Compound Detail
CHEMBL5289170
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Cc1ccc2c(c1)CCc1cc(C)ccc1C2N1CN(C(C)C)C(=O)c2c(O)c(=O)c(C(=O)O)cn21
Basic Information
| ChEMBL ID | CHEMBL5289170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVDMIBIIEAFMPM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
3.52
ALogP
6
HBA
2
HBD
103.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mammarenavirus choriomeningitidis CHEMBL5291622 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Junin virus CHEMBL4523072 | EC50 | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mammarenavirus choriomeningitidis | EC50 | = | 13.0 | nM | 7.89 | Antiviral activity against Lymphocytic choriomeningitis virus | 36758821 |
| Junin virus | EC50 | = | 34.0 | nM | 7.47 | Antiviral activity against Junin virus | 36758821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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