Compound Detail
CHEMBL3358162
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Basic Information
| ChEMBL ID | CHEMBL3358162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BANYZZWBYQJCNT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.8
MW (Da)
3.37
ALogP
3
HBA
2
HBD
93.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.36 | 5.865 | 44.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 44.1 | nM | 7.36 | Antiviral activity against HIV1 NL4-3 infected in human MT4 cells assessed as re... | 25418038 |
| Human immunodeficiency virus 1 | EC50 | = | 42719.0 | nM | 4.37 | Antiviral activity against HIV1 NL4-3 expressing reverse transcriptase Y181C mut... | 25418038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25418038 | 10.1021/jm5011622 | Human immunodeficiency virus 1 | 12 |
| 25418038 | 10.1021/jm5011622 | Unchecked | 1 |
| 25418038 | 10.1021/jm5011622 | MT4 | 1 |
| 25418038 | 10.1021/jm5011622 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine