Compound Detail
CHEMBL482872
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Basic Information
| ChEMBL ID | CHEMBL482872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKPYILJKWZGHDZ-CKMBNMJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
305.8
MW (Da)
3.89
ALogP
3
HBA
1
HBD
24.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.42 | 5.42 | 3801.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.42 | 5.42 | 3801.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3801.89 | nM | 5.42 | Inhibition of HIV1 reverse transcriptase | 18760864 |
| Unchecked | IC50 | = | 3801.89 | nM | 5.42 | Inhibition of HIV reverse transcriptase | 20060625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18760864 | 10.1016/j.ejmech.2008.07.020 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 20060625 | 10.1016/j.ejmech.2009.12.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine