Compound Detail
CHEMBL1976450
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Basic Information
| ChEMBL ID | CHEMBL1976450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAJDUCNQJSPBBT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.58
ALogP
5
HBA
2
HBD
66.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.14 | 4.07 | 71600.0 | 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 | = | 71600.0 | nM | 4.14 | Inhibition of HIV1 reverse transcriptase-associated RNA-dependent DNA polymerase... | 25728026 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of HIV1 reverse transcriptase-associated DNA polymerase-independent R... | 25728026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25728026 | 10.1016/j.ejmech.2015.02.032 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
Data from ChEMBL 36 via Core Engine