Compound Detail
CHEMBL133779
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Basic Information
| ChEMBL ID | CHEMBL133779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTNATEYJPONKDY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
356.2
MW (Da)
3.91
ALogP
3
HBA
3
HBD
74.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.87 | 5.8767 | 135.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 135.0 | nM | 6.87 | HIV-1 reverse transcriptase inhibitory activity against Wild Type Reverse transc... | 10514285 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 4100.0 | nM | 5.39 | HIV-1 reverse transcriptase inhibitory activity against Ile 100 mutant using (po... | 10514285 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 4300.0 | nM | 5.37 | HIV-1 reverse transcriptase inhibitory activity against Cys181 mutant using (pol... | 10514285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514285 | 10.1021/jm990095j | Human immunodeficiency virus type 1 reverse transcriptase | 9 |
Data from ChEMBL 36 via Core Engine