Compound Detail
CHEMBL4788270
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H](N1CN([C@H]2c3ccccc3CSc3ccc(F)cc32)n2ccc(=O)c(O)c2C1=O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4788270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVPHLROOEQTCAG-XCLFUZPHSA-N |
2
Targets
4
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.5
MW (Da)
4.39
ALogP
6
HBA
1
HBD
65.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.1
IC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.1 | 8.1 | 8.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 8.09 | 8.09 | 8.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.41 | 7.41 | 39.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.4 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.00975 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 8.0 | nM | 8.1 | CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... | - |
| Influenza A virus | EC50 | = | 8.16 | nM | 8.09 | Antiviral activity against Influenza A virus (A/WSN/1933(H1N1)) infected in dog ... | 32927030 |
| Unchecked | IC50 | = | 39.2 | nM | 7.41 | Inhibition of Influenza virus Cap-dependent endonuclease | 32927030 |
| Unchecked | IC50 | = | 39.0 | nM | 7.41 | CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32927030 | 10.1016/j.bmcl.2020.127547 | ADMET | 3 |
| 32927030 | 10.1016/j.bmcl.2020.127547 | Unchecked | 1 |
| 32927030 | 10.1016/j.bmcl.2020.127547 | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine