Compound Detail
CHEMBL1923482
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Basic Information
| ChEMBL ID | CHEMBL1923482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPBULEIWOAXAKX-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.7
MW (Da)
4.24
ALogP
6
HBA
1
HBD
97.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.77 | 7.234 | 17.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 17.0 | nM | 7.77 | Antiviral activity against Human immunodeficiency virus 1 3B infected in human M... | 22081993 |
| Human immunodeficiency virus 1 | EC50 | = | 17.0 | nM | 7.77 | Antiviral activity against Human immunodeficiency virus 1 NL4.3 infected in huma... | 22081993 |
| Human immunodeficiency virus 1 | EC50 | = | 17.0 | nM | 7.77 | Anti-viral activity against wild type HIV1 strain IIIB infected in human MT2 cel... | 37883896 |
| Human immunodeficiency virus 1 | EC50 | = | 240.0 | nM | 6.62 | Antiviral activity against Human immunodeficiency virus 1 NL4.3 reverse transcri... | 22081993 |
| Human immunodeficiency virus 1 | EC50 | = | 570.0 | nM | 6.24 | Antiviral activity against Human immunodeficiency virus 1 NL4.3 reverse transcri... | 22081993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22081993 | 10.1021/jm201134m | Human immunodeficiency virus 1 | 6 |
| 22081993 | 10.1021/jm201134m | MT2 | 2 |
| 37883896 | 10.1016/j.ejmech.2023.115894 | Human immunodeficiency virus 1 | 1 |
| 37883896 | 10.1016/j.ejmech.2023.115894 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine