Compound Detail
CHEMBL104658
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Basic Information
| ChEMBL ID | CHEMBL104658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBFFGLYHUXZQTE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.26
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.98 | 6.98 | 105.0 | 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 | = | 105.0 | nM | 6.98 | Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay. | 11212098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11212098 | 10.1016/s0960-894x(00)00662-4 | Human immunodeficiency virus type 1 protease | 3 |
| 11212098 | 10.1016/s0960-894x(00)00662-4 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 11212098 | 10.1016/s0960-894x(00)00662-4 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine