Compound Detail
CHEMBL1801518
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Basic Information
| ChEMBL ID | CHEMBL1801518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCDOELAIRNZSNU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
3.12
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 5.42 | 5.23 | 3800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 3800.0 | nM | 5.42 | Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... | 21553812 |
| Hepatitis B virus | EC50 | = | 9100.0 | nM | 5.04 | 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 |
| 21553812 | 10.1021/jm200153p | ADMET | 1 |
Data from ChEMBL 36 via Core Engine