Compound Detail
CHEMBL1652472
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 | CHEMBL1652472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFYBRMBNNNXCLD-SANMLTNESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
599.8
MW (Da)
6.08
ALogP
10
HBA
3
HBD
154.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Ectromelia virus Moscow CHEMBL612728 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Cowpox virus (Brighton Red) infected in human HFF cel... | 21493074 |
| Vaccinia virus | EC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Vaccinia virus Copenhagen infected in human HFF cells... | 21493074 |
| Ectromelia virus Moscow | EC50 | = | 44.0 | nM | 7.36 | Antiviral activity against Ectromelia virus Moscow infected in african green mon... | 21493074 |
| Hepatitis B virus | EC50 | = | 59.0 | nM | 7.23 | Antiviral activity against HBV infected in human HepG2(2.2.15) cells assessed as... | 19398648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19398648 | 10.1128/aac.00114-09 | Hepatitis B virus | 4 |
| 21493074 | 10.1016/j.bmc.2011.03.034 | Unchecked | 3 |
| 21493074 | 10.1016/j.bmc.2011.03.034 | Liver | 3 |
| 21493074 | 10.1016/j.bmc.2011.03.034 | ADMET | 2 |
| 19398648 | 10.1128/aac.00114-09 | ADMET | 1 |
| 19398648 | 10.1128/aac.00114-09 | Unchecked | 1 |
| 21493074 | 10.1016/j.bmc.2011.03.034 | Ectromelia virus Moscow | 1 |
| 21493074 | 10.1016/j.bmc.2011.03.034 | BSC-1 | 1 |
| 21493074 | 10.1016/j.bmc.2011.03.034 | NON-PROTEIN TARGET | 1 |
| 21493074 | 10.1016/j.bmc.2011.03.034 | HFF | 1 |
| 21493074 | 10.1016/j.bmc.2011.03.034 | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine