Compound Detail
CHEMBL99992
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Basic Information
| ChEMBL ID | CHEMBL99992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HASDKQMKEXOVJW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.72
ALogP
5
HBA
2
HBD
71.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.26 | 7.26 | 55.0 | 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 | = | 55.0 | nM | 7.26 | Inhibitory activity against HIV-1 reverse transcriptase (RT) | 1716683 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 55.0 | nM | 7.26 | In vitro HIV-1 RT inhibitory activity using rC.dG as template-primer | 1279173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1716683 | 10.1021/jm00113a036 | 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