Compound Detail
CHEMBL568496
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Basic Information
| ChEMBL ID | CHEMBL568496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQBXPBKLMPCSQS-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.3
MW (Da)
3.52
ALogP
5
HBA
2
HBD
85.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.1 | 7.45 | 7.9 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 7.9 | nM | 8.1 | Antiviral activity against HIV-1 LAI harboring wild type reverse transcriptase i... | 19645483 |
| Human immunodeficiency virus 1 | IC50 | = | 39.8 | nM | 7.4 | Antiviral activity against HIV1 HXB2 harboring Y181C mutant reverse transcriptas... | 19645483 |
| Human immunodeficiency virus 1 | IC50 | = | 39.8 | nM | 7.4 | Antiviral activity against HIV1 HXB2 harboring K103N mutant reverse transcriptas... | 19645483 |
| Human immunodeficiency virus 1 | IC50 | = | 125.0 | nM | 6.9 | Antiviral activity against HIV1 HXB2 harboring Y188L mutant reverse transcriptas... | 19645483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19645483 | 10.1021/jm900802y | Human immunodeficiency virus 1 | 4 |
| 19645483 | 10.1021/jm900802y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine