Compound Detail
CHEMBL3753006
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Basic Information
| ChEMBL ID | CHEMBL3753006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSQCGPKTHGZLMA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
2.64
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.1 | 6.1 | 800.0 | 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 | = | 800.0 | nM | 6.1 | Inhibition of HIV1 reverse transcriptase | 26708112 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of HIV1 reverse transcriptase | 30516990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26708112 | 10.1016/j.ejmech.2015.11.025 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 30516990 | 10.1021/acs.jmedchem.8b00843 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine