Compound Detail
CHEMBL4548835
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Cc1cccc2nc(N[C@H]3C4CCC(CC4)[C@@H]3C(=O)O)nc(-c3c[nH]c4ncc(F)cc34)c12
Basic Information
| ChEMBL ID | CHEMBL4548835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSOOXAPZFFVKJE-JULDFFDYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
4.92
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase basic protein 2 CHEMBL3317339 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase basic protein 2 | EC50 | = | 450.0 | nM | 6.35 | Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cel... | 30448415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30448415 | 10.1016/j.ejmech.2018.11.015 | Polymerase basic protein 2 | 1 |
| 30448415 | 10.1016/j.ejmech.2018.11.015 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine