Compound Detail
CHEMBL2380665
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Cc1ccc(-c2cn([C@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@@H](F)[C@@H]3O)nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL2380665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJNSICYYYDDRCL-LISAXSMJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
-0.03
ALogP
10
HBA
3
HBD
141.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against HBV infected in human HepG2.2.15 assessed as reductio... | 23570720 |
| Human immunodeficiency virus 1 | EC50 | = | 3700.0 | nM | 5.43 | Antiviral activity against HIV1 expressing VSV glycoprotein plasmid infected in ... | 23570720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23570720 | 10.1016/j.ejmech.2013.02.042 | Hepatitis B virus | 2 |
| 23570720 | 10.1016/j.ejmech.2013.02.042 | Unchecked | 1 |
| 23570720 | 10.1016/j.ejmech.2013.02.042 | ADMET | 1 |
| 23570720 | 10.1016/j.ejmech.2013.02.042 | MT2 | 1 |
| 23570720 | 10.1016/j.ejmech.2013.02.042 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine