Compound Detail
CHEMBL1802239
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Basic Information
| ChEMBL ID | CHEMBL1802239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHSCFIHUSWQCSY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
334.2
MW (Da)
3.63
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 6.12 | 5.9 | 760.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 450.0 | nM | 6.35 | Antiviral activity against HCV genotype 1b infected in Ava5 cells assessed as in... | 22059983 |
| Hepatitis B virus | EC50 | = | 760.0 | nM | 6.12 | Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... | 21553812 |
| Hepatitis B virus | EC50 | = | 2100.0 | nM | 5.68 | Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... | 21553812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21553812 | 10.1021/jm200153p | Hepatitis B virus | 4 |
| 21553812 | 10.1021/jm200153p | Unchecked | 2 |
| 22059983 | 10.1021/jm201264t | Hepatitis C virus | 2 |
| 21553812 | 10.1021/jm200153p | ADMET | 1 |
| 22059983 | 10.1021/jm201264t | Unchecked | 1 |
| 22059983 | 10.1021/jm201264t | ADMET | 1 |
Data from ChEMBL 36 via Core Engine