Compound Detail
CHEMBL5523421
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Basic Information
| ChEMBL ID | CHEMBL5523421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRLXYYPZEZQDPC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.45
ALogP
6
HBA
2
HBD
90.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.89 | 5.455 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of HIV-1 RNase H | 36787657 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of recombinant HIV-1 reverse transcriptase associated RNA-dependent D... | 36787657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36787657 | 10.1016/j.ejmech.2023.115196 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
Data from ChEMBL 36 via Core Engine