Compound Detail
CHEMBL4551918
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O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)cn(C2CCCCC2)c1=O
Basic Information
| ChEMBL ID | CHEMBL4551918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFONIDKJTMUDHA-NLXTURDTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
4.73
ALogP
6
HBA
3
HBD
112.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.13 | 6.13 | 740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 740.0 | nM | 6.13 | Binding affinity to influenza virus PB2 transformed into Escherichia coli rosset... | 31053507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31053507 | 10.1016/j.bmcl.2019.04.042 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine