Compound Detail
CHEMBL431936
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Basic Information
| ChEMBL ID | CHEMBL431936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNZNCDSVUJHFTL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.3
MW (Da)
3.84
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.89 | 6.89 | 130.0 | 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 | = | 130.0 | nM | 6.89 | Inhibitory concentration for 50% inhibition of HIV-1 reverse transcriptase | 10937734 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 130.0 | nM | 6.89 | Inhibition of HIV1 reverse transcriptase | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10937734 | 10.1016/s0960-894x(00)00321-8 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
Data from ChEMBL 36 via Core Engine