Compound Detail
CHEMBL171919
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Basic Information
| ChEMBL ID | CHEMBL171919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOXLHLUBKIVNIJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.3
MW (Da)
5.40
ALogP
5
HBA
1
HBD
59.1
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5667 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 11.0 | nM | 7.96 | Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template) | 7683054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7683054 | 10.1021/jm00060a002 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 7683054 | 10.1021/jm00060a002 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine