Compound Detail
CHEMBL4528691
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Cc1cc2nc(-c3c[nH]c4ncc(F)cc34)nc(N[C@H]3C4C=CC(CC4)[C@@H]3C(=O)O)c2s1
Basic Information
| ChEMBL ID | CHEMBL4528691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOKURYNDASNTCN-DFYNNNJYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.76
ALogP
6
HBA
3
HBD
103.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 27.0 | nM | 7.57 | 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