Compound Detail
CHEMBL86064
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Basic Information
| ChEMBL ID | CHEMBL86064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEQCOEDABQUKBA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
3.27
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.28 | 5.2733 | 5300.0 | 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 | = | 5300.0 | nM | 5.28 | In vitro inhibitory concentration against HIV-1 reverse transcriptase using rC-d... | 7678654 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 5370.32 | nM | 5.27 | Inhibition of HIV-1 reverse transcriptase (HIV-1 RT) | 8831772 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 5330.0 | nM | 5.27 | In vitro HIV-1 RT inhibitory activity using rC.dG as template-primer | 1279173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831772 | 10.1021/jm960058h | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7678654 | 10.1021/jm00054a009 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 1279173 | 10.1021/jm00099a007 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine