Compound Detail
CHEMBL4472799
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Cl.O=C(O)[C@H]1C2C=CC(CC2)[C@@H]1Nc1nc(-c2n[nH]c3ncc(F)cc23)nc2ccsc12
Basic Information
| ChEMBL ID | CHEMBL4472799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUBRMGOTZYZCJU-YJCHSCJXSA-N |
| Parent Compound | CHEMBL4597962 |
| Active Moiety | CHEMBL4597962 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
3.85
ALogP
7
HBA
3
HBD
116.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 42.0 | nM | 7.38 | Antiviral activity against Influenza A virus (H1N1) harboring PR8-GLuc infected ... | 31493987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31493987 | 10.1016/j.bmcl.2019.126639 | Unchecked | 2 |
| 31493987 | 10.1016/j.bmcl.2019.126639 | PBMC | 1 |
| 31493987 | 10.1016/j.bmcl.2019.126639 | CCRF-CEM | 1 |
| 31493987 | 10.1016/j.bmcl.2019.126639 | Vero | 1 |
| 31493987 | 10.1016/j.bmcl.2019.126639 | Huh-7 | 1 |
| 31493987 | 10.1016/j.bmcl.2019.126639 | A549 | 1 |
Data from ChEMBL 36 via Core Engine