Compound Detail
CHEMBL4583652
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
Basic Information
| ChEMBL ID | CHEMBL4583652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEIPXEIKMXQIGU-RBUKOAKNSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
2.21
ALogP
8
HBA
1
HBD
95.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.45
IC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HFF CHEMBL614071 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 4.45 | 4.285 | 35150.0 | 2 |
| Influenza A virus H3N2 CHEMBL2366902 | EC50 | 4.35 | 4.31 | 45000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HFF | IC50 | = | 610.0 | nM | 6.21 | Cytotoxicity against human HFF cells assessed as reduction in cell viability inc... | 31586832 |
| Influenza A virus | EC50 | = | 35150.0 | nM | 4.45 | Antiviral activity against Influenza A virus (A/Ned/378/05(H1N1)) infected in do... | 31586832 |
| Influenza A virus H3N2 | EC50 | = | 45000.0 | nM | 4.35 | Antiviral activity against Influenza A virus (A/HK/7/87(H3N2)) infected in dog M... | 31586832 |
| Influenza A virus H3N2 | EC50 | = | 53850.0 | nM | 4.27 | Antiviral activity against Influenza A virus (A/HK/7/87(H3N2)) infected in dog M... | 31586832 |
| Influenza A virus | EC50 | = | 75000.0 | nM | 4.12 | Antiviral activity against Influenza A virus (A/Ned/378/05(H1N1)) infected in do... | 31586832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31586832 | 10.1016/j.ejmech.2019.111739 | MDCK | 2 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | Influenza B virus | 2 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | Influenza A virus H3N2 | 2 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | Influenza A virus | 2 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | HFF | 1 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | SW-620 | 1 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | MCF7 | 1 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | HepG2 | 1 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | HeLa | 1 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | HCT-116 | 1 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | CFPAC-1 | 1 |
| 31586832 | 10.1016/j.ejmech.2019.111739 | A549 | 1 |
Data from ChEMBL 36 via Core Engine